data_2enp_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 2enp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.78 -47.57 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.86 -160.81 28.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.0 mtp -145.92 144.56 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -128.9 137.6 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.2 t-160 -94.18 134.65 36.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' C ' HD12 ' A' ' 33' ' ' ILE . 36.7 p90 -159.25 152.76 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.7 p -132.66 128.2 36.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.2 t -109.83 115.08 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.5 136.43 36.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 3.9 t80 -106.38 130.32 54.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -90.3 120.25 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 130' ' ' VAL . 3.8 mm? -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.02 -43.56 98.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.57 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 31.6 m170 -90.8 -15.43 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 60.26 45.33 11.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.57 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.7 p-80 -143.47 168.0 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 tp -93.58 117.78 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 m -100.94 98.65 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.73 103.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -92.07 124.08 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -79.77 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 17' ' ' PHE . 18.8 mt -110.01 163.32 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.17 -179.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.37 -179.15 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -163.71 170.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 64.81 43.62 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.53 135.46 19.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.75 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' CG ' HG23 ' A' ' 117' ' ' ILE . 53.7 Cg_endo -69.73 152.28 69.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.457 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 3.5 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.41 27.75 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 0.0 112.391 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.5 155.1 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.39 140.74 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -107.08 164.09 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.97 154.21 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.99 154.67 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -120.48 95.84 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 8.8 mp -58.86 161.81 8.04 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.358 -0.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.53 136.18 11.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.1 p -79.03 159.94 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.13 172.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 69.7 t -101.61 118.26 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -83.89 168.14 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.4 mmt85 -83.22 164.98 19.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HE2' ' N ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -34.23 110.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -165.05 150.24 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -84.96 -39.11 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -101.92 99.8 13.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.94 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.54 127.4 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -41.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 55.74 46.07 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -104.23 152.68 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -107.23 150.75 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.68 160.7 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.565 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 5.1 p -130.13 155.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 88' ' ' THR . 50.1 m-85 -154.11 110.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.0 95.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 tt -141.39 132.32 13.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.71 126.84 13.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' PRO . 55.2 t80 -34.45 -61.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' PHE . 37.7 mt -34.13 -50.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.87 -48.7 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.02 -54.47 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -50.04 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -76.61 -34.21 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -72.16 165.82 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 101' ' ' LEU . 45.2 m -133.35 137.62 45.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.45 ' N ' HG21 ' A' ' 100' ' ' THR . 5.4 tp -85.91 111.24 20.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.436 HD13 ' CA ' ' A' ' 121' ' ' SER . 8.1 tp -118.44 131.12 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mp -119.43 128.64 54.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.4 m -113.28 134.16 54.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -107.79 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.4 t -122.34 138.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.865 0.364 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.457 HG23 ' CG ' ' A' ' 39' ' ' PRO . 81.9 mt -70.87 -43.62 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.408 ' CA ' HD22 ' A' ' 139' ' ' LEU . . . 178.4 169.51 39.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.451 ' HD3' ' CB ' ' A' ' 142' ' ' SER . 10.7 ptmt -127.74 166.26 18.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.3 t -144.1 107.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.436 ' CA ' HD13 ' A' ' 102' ' ' LEU . 80.3 p -103.9 144.98 30.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 8.7 p -153.31 121.55 3.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.11 18.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.69 18.44 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.08 -47.93 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.89 -51.88 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.4 t -53.11 150.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.07 99.01 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 21' ' ' TYR . 12.2 mt -64.16 -52.93 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 23' ' ' LEU . 15.4 m -43.97 -32.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -93.37 -22.91 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 99.14 159.08 29.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -130.68 153.32 20.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.493 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 9.0 t-160 -170.43 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.402 ' NE1' ' HE3' ' A' ' 137' ' ' LYS . 35.7 p90 -153.01 179.08 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 17.4 m95 -120.28 133.28 55.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 44.1 mttt -129.58 163.0 26.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 139' ' ' LEU . . . -108.64 111.13 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.408 HD22 ' CA ' ' A' ' 118' ' ' GLY . 4.9 mp -37.25 142.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.8 pt -117.5 152.73 49.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.164 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.451 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 38.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -88.91 -42.31 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.53 -156.26 26.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.0 mtp -150.65 146.21 26.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 tp -124.4 141.73 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.1 t-160 -100.12 130.22 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -153.44 155.23 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.1 p -136.47 119.13 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -102.63 116.67 33.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.429 ' NE2' ' HA3' ' A' ' 132' ' ' GLY . 1.1 tp-100 -138.48 128.22 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -96.71 129.68 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.43 113.36 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.0 mm? -70.81 -39.61 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tt -52.25 -48.29 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 94.9 m-70 -98.42 -3.95 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 53.6 43.19 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -129.13 175.04 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -107.14 104.34 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 m -84.39 97.11 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -103.13 106.15 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -97.4 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.12 106.74 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.35 166.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.82 -178.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.71 177.56 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -162.23 170.78 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 68.54 31.97 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.39 138.94 21.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 143.97 52.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.5 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.06 17.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -166.77 136.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 66.4 t -94.63 148.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -116.07 163.96 15.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.42 146.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 p -158.72 126.27 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -92.07 97.14 10.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 3.1 mm? -76.36 155.51 83.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.357 -0.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.5 tppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.705 0.288 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.6 pt20 -140.85 150.17 42.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.8 p -87.3 157.27 19.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.65 160.34 37.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.538 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 94.5 t -74.15 127.79 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 14.1 mmmt -91.95 164.9 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.6 mmt180 -80.3 161.26 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' ARG . 52.4 mtmt -35.91 114.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -174.13 146.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.26 -39.82 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -105.3 99.77 22.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 53.3 Cg_endo -69.8 122.97 9.63 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.53 88.22 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 81' ' ' PRO . 1.1 m-85 -81.43 -54.33 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 60.01 45.29 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -108.97 156.08 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -104.97 143.99 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -141.58 148.51 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.415 HG21 ' NE2' ' A' ' 27' ' ' HIS . 24.8 p -130.19 166.86 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -152.75 122.12 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.7 80.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.3 tt -132.16 132.07 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.37 21.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.418 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CE2' ' NE2' ' A' ' 97' ' ' GLN . 75.4 t80 -38.93 -61.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' ARG . 40.1 tt0 -73.92 -46.02 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.41 -42.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 93' ' ' PHE . 77.0 mt-30 -64.43 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.4 mtm180 -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -90.0 161.86 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.0 m -123.72 148.07 46.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.4 tp -94.59 103.78 15.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 102' ' ' LEU . 1.8 tm? -117.81 127.26 53.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.423 ' N ' HD11 ' A' ' 102' ' ' LEU . 2.4 mp -121.87 127.81 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 m -111.86 126.58 55.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 73.1 t -94.04 114.35 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.8 t -117.47 148.51 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 70.7 mt -78.67 -40.21 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.85 -178.11 48.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -141.83 163.43 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 50.6 t -136.95 118.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.0 p -107.04 149.33 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.9 p -161.61 120.7 1.46 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 131.21 20.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mt -95.75 18.06 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.75 -21.89 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.77 -36.84 6.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.471 HG12 ' CH2' ' A' ' 135' ' ' TRP . 80.5 t -62.06 137.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.446 ' N ' HG11 ' A' ' 127' ' ' VAL . 30.0 m-20 -76.63 83.89 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.46 -40.32 90.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.01 -45.1 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.47 -29.16 41.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.429 ' HA3' ' NE2' ' A' ' 20' ' ' GLN . . . 116.73 161.12 12.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.18 132.22 6.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 11.5 t-160 -157.65 107.15 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.471 ' CH2' HG12 ' A' ' 127' ' ' VAL . 39.0 p90 -152.17 179.33 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.552 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 22.1 m95 -122.45 130.97 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.408 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.0 mttt -126.07 171.83 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.06 128.57 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.42 145.21 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.65 152.09 46.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 90.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 141' ' ' PRO . 74.4 mt -104.91 -48.18 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.46 -148.93 20.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.4 mtp -145.86 159.78 42.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.7 tp -134.52 130.03 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 6.2 t-160 -89.65 134.08 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -159.3 148.61 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -131.25 119.81 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 133' ' ' GLY . 6.3 t -108.4 120.55 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -143.46 119.67 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 30.5 t80 -81.49 147.75 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.5 m-20 -117.89 136.93 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.1 mm? -90.8 -28.82 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -45.73 -42.33 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.7 m-70 -121.93 -1.72 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.33 44.91 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -127.43 167.87 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.58 110.1 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.27 100.06 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -100.12 106.66 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -92.13 103.94 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.45 104.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 37.9 mt -83.58 165.17 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 10.5 pt-20 -66.21 -179.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.0 178.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -160.73 175.46 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.06 41.63 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -102.97 140.45 21.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.24 15.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.294 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.425 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 8.9 m120 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.34 56.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -150.01 151.03 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.6 t -105.88 148.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -115.37 162.56 16.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -133.26 154.36 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -168.8 147.3 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.59 91.95 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 56.9 mt -60.53 154.85 53.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.341 -0.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HE3' ' CD1' ' A' ' 87' ' ' TYR . 8.1 tppt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.9 pt20 -133.65 140.34 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.455 ' OG1' ' CD1' ' A' ' 83' ' ' PHE . 54.5 p -66.77 -52.36 44.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.4 -177.29 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 74.4 t -98.3 108.61 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -81.45 167.25 19.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.1 mmm180 -82.18 158.47 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' ARG . 11.1 mptt -35.91 112.67 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -175.1 128.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -61.12 -38.95 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -103.39 94.93 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.7 Cg_endo -69.74 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.77 112.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CD1' ' OG1' ' A' ' 72' ' ' THR . 19.8 m-85 -101.59 -49.79 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.48 41.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -105.43 166.14 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -123.03 145.61 48.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 75.4 m-85 -143.43 162.78 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.558 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -128.13 162.54 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 88' ' ' THR . 51.4 m-85 -154.26 114.31 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.84 94.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 tt -147.27 133.47 9.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.79 131.45 21.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' LEU . 49.6 t80 -37.27 -60.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.8 mp -36.34 -59.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 98' ' ' ARG . 24.8 tt0 -58.99 -44.43 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -38.51 -45.16 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.06 -42.02 99.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLU . 54.6 mtt85 -68.62 -33.13 73.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -82.65 158.6 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 101' ' ' LEU . 24.0 m -122.28 144.94 48.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.464 ' N ' HG22 ' A' ' 100' ' ' THR . 17.7 tp -96.56 103.42 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 tt -117.78 128.03 54.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 mp -113.43 112.22 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.9 m -88.99 111.59 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -84.59 105.82 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.97 147.53 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.8 mm -80.12 -41.66 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 168.08 177.96 39.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.421 ' HE3' ' CD1' ' A' ' 140' ' ' ILE . 31.1 pttt -131.77 144.94 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.96 108.39 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.1 p -97.44 149.59 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 101' ' ' LEU . 2.3 p -155.87 121.74 2.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 133.82 26.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.0 mt -100.26 15.91 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.9 -1.11 49.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -122.84 -40.42 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.5 HG12 ' CZ3' ' A' ' 135' ' ' TRP . 26.0 t -67.07 131.33 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.28 73.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 130' ' ' VAL . 6.3 mt -49.42 -51.32 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 129' ' ' LEU . 86.8 t -37.97 -43.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -82.98 -66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 162.32 159.71 10.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -133.41 133.09 6.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.495 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 11.3 t-160 -158.58 106.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.5 ' CZ3' HG12 ' A' ' 127' ' ' VAL . 37.9 p90 -152.86 178.63 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.7 m95 -121.08 129.73 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -124.28 162.0 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.76 136.04 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.08 154.85 41.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.421 ' CD1' ' HE3' ' A' ' 119' ' ' LYS . 7.3 pt -131.45 151.79 79.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.411 ' N ' HD13 ' A' ' 12' ' ' LEU . 53.9 Cg_endo -69.77 110.12 2.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.816 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -50.05 -57.25 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.95 -158.11 28.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtp -143.61 147.35 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 tp -129.49 140.06 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.9 t-160 -100.09 134.46 42.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.525 ' CZ ' HG11 ' A' ' 120' ' ' VAL . 28.5 p90 -158.71 153.23 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -133.28 121.26 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.1 t -106.18 119.69 39.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -142.48 140.02 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -107.98 139.52 42.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -105.11 130.81 53.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.4 mm? -84.58 -39.15 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -48.65 -45.47 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 96.5 m-70 -100.93 -15.68 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 63.62 47.93 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.8 p-80 -139.44 165.83 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.93 113.87 26.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -94.82 99.81 11.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.5 t -101.02 108.67 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -96.37 102.91 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.78 120.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.425 HD12 ' CA ' ' A' ' 17' ' ' PHE . 9.2 mt -101.87 169.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.88 178.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.77 -179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -165.43 169.66 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t0 69.42 41.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -98.76 125.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.22 64.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 3.7 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.71 33.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.468 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 13.8 p90 -150.86 134.99 16.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.16 149.35 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' C ' HG13 ' A' ' 60' ' ' ILE . 40.1 mtpt -114.82 160.61 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.41 HG13 ' C ' ' A' ' 59' ' ' LYS . 6.5 mt -137.84 135.04 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -153.63 133.33 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.78 97.23 9.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 77.2 mt -66.07 154.38 89.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.297 -0.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 11.8 tppt? . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.731 0.301 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 5.8 pt20 -128.57 167.53 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.6 p -85.39 -29.37 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.73 -148.24 18.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 HG13 ' ND2' ' A' ' 55' ' ' ASN . 72.5 t -132.39 137.2 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 39.1 mmtm -127.46 169.22 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 40.7 mmt180 -86.95 163.6 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 26.9 mtmt -35.34 110.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 t -159.55 121.79 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.4 -17.97 64.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -127.0 88.33 54.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.28 14.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.56 129.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -128.47 -30.39 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 41.18 54.41 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 39.2 tp10 -106.8 156.18 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.464 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 20.4 ttm180 -113.16 132.2 55.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -126.64 152.57 46.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.467 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.2 p -119.25 151.92 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 88' ' ' THR . 30.2 m-85 -143.94 126.32 15.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.81 94.97 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -148.01 133.74 9.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.597 0.713 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.77 129.76 18.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' PRO . 69.4 t80 -36.45 -56.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -39.61 -58.15 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.23 -45.53 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.14 -44.69 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.18 -44.38 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -70.46 -46.07 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -54.08 164.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 101' ' ' LEU . 92.9 m -135.8 138.76 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' A' ' 17' ' ' PHE . 16.5 tp -80.95 113.3 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -122.99 115.71 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.51 103.85 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.7 m -91.42 129.76 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.37 105.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 1.8 t -118.14 143.72 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.42 -43.12 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.25 -176.47 48.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -151.75 163.04 40.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 68.9 t -133.97 112.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.413 ' CB ' HD22 ' A' ' 102' ' ' LEU . 3.8 p -103.77 143.78 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.89 125.71 3.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.5 17.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' A' ' 129' ' ' LEU . 96.6 mt -84.38 15.0 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.9 t -98.07 -10.19 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -101.89 -47.3 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 128' ' ' ASP . 7.5 p -75.65 137.07 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.419 ' N ' HG23 ' A' ' 127' ' ' VAL . 4.7 m-20 -79.07 82.57 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 130' ' ' VAL . 8.9 mt -44.15 -51.8 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 129' ' ' LEU . 88.8 t -36.07 -55.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -70.58 -59.13 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.94 156.55 6.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -125.99 135.92 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.53 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.492 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 9.8 t-160 -164.16 105.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.534 ' CD1' ' HE2' ' A' ' 137' ' ' LYS . 34.1 p90 -152.92 179.2 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 19.8 m95 -117.96 136.23 53.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.534 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 11.9 mttm -135.27 164.23 28.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.43 133.27 46.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.01 148.5 43.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.9 pt -123.06 150.8 60.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 111.154 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 100.58 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.867 0.365 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.2 mt -103.36 -48.27 4.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.85 -147.21 18.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.0 mtp -154.32 154.25 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tp -131.5 135.73 47.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.648 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 6.2 t-160 -94.22 129.14 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -158.68 170.68 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.04 142.67 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.17 116.39 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -135.29 116.83 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -90.44 125.12 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.39 133.82 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.71 -33.93 18.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -49.69 72.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.4 m-70 -97.55 -10.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m120 58.02 47.49 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -130.99 169.21 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.9 tp -101.0 107.4 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -91.66 100.97 13.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.65 109.62 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -95.37 128.25 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -91.59 106.18 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 34' ' ' GLU . 56.8 mt -87.42 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' N ' HG22 ' A' ' 33' ' ' ILE . 18.1 pt-20 -58.57 177.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.31 -179.23 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -163.03 176.42 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 64.54 34.73 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -97.57 136.75 21.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 123.29 9.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.23 8.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -171.28 153.68 3.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.3 157.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.171 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -122.88 155.7 36.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mt -130.75 139.41 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 p -157.6 144.06 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 mt -103.98 92.68 4.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 19.8 mt -71.97 155.7 91.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.8 tppt? . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.758 0.313 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 2.0 mp0 -125.59 171.52 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.4 p -119.53 139.76 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.46 161.62 1.66 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -86.94 129.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' A' ' 83' ' ' PHE . 15.9 mmtm -79.31 163.88 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 38.0 mmt180 -76.85 165.23 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ARG . 3.4 pttp -34.09 114.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -172.28 161.5 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -95.44 -18.4 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -131.9 100.46 15.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.69 121.52 8.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 34' ' ' GLU . 1.5 p -125.11 105.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -102.15 -30.31 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' PHE . 31.7 mt-10 37.86 51.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -112.79 145.25 40.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -98.33 143.09 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -134.69 147.65 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -119.12 159.58 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 88' ' ' THR . 40.4 m-85 -148.08 123.71 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 tt -144.83 132.27 10.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 111.17 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.84 128.11 15.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' LEU . 50.6 t80 -36.66 -62.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' PHE . 7.3 mp -35.21 -40.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -79.33 -45.56 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -43.05 -43.78 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -55.89 -37.65 69.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -75.26 -30.17 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -76.14 163.75 26.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.2 m -128.61 135.18 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.12 113.54 20.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -122.15 127.05 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.88 115.25 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 105' ' ' VAL . 90.3 m -104.31 136.74 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.46 ' N ' HG21 ' A' ' 104' ' ' THR . 69.3 t -108.73 110.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.51 150.55 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.822 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.9 mm -52.61 -41.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 171.06 -166.96 40.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.07 159.35 36.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.48 117.79 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -108.46 145.32 34.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.7 p -153.56 130.31 5.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.28 20.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mt -96.85 23.2 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 47.5 t -86.44 -54.15 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.65 -38.44 23.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 49.5 t -46.74 136.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -79.99 62.82 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 27.3 mt -40.49 -44.36 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.9 t -43.72 -59.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -73.92 -57.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.43 172.49 19.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.605 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -136.07 60.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.48 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 11.6 t-160 -83.85 103.82 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.5 p90 -152.2 179.4 8.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.648 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 12.2 m95 -122.53 129.49 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.455 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 25.6 mttt -125.74 171.75 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.32 133.79 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.3 mp -66.21 143.01 57.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.9 pt -118.04 155.51 51.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.186 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 112.1 3.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.822 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.78 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.75 -151.56 14.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.9 mtp -157.35 142.28 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.55 130.81 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.0 t-160 -91.39 132.64 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.43 158.26 35.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -137.73 138.41 39.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -120.59 113.61 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.98 120.94 19.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 4.0 t80 -92.68 136.66 33.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -107.14 120.27 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 4.2 mp -76.79 -34.27 57.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -43.9 -42.16 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.1 m170 -116.87 10.3 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 45.8 47.53 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -132.99 163.68 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -99.31 116.71 32.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 m -96.94 103.01 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.14 110.68 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -103.53 104.28 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.85 131.74 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 38.3 mt -109.52 164.88 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 12.6 pt-20 -57.66 177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.09 179.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -164.94 173.57 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.17 40.35 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -96.3 128.19 37.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.468 ' CG ' HG23 ' A' ' 117' ' ' ILE . 54.0 Cg_endo -69.77 146.38 59.98 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.72 166.96 25.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.458 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 4.8 p90 -172.91 135.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -99.4 152.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -115.8 157.44 24.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -133.11 133.08 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.38 147.06 27.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.94 92.62 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 67.0 mt -64.01 153.04 86.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.333 -0.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.746 0.308 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.92 149.09 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.562 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 26.6 p -88.08 161.62 17.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.09 176.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 87.8 t -114.45 110.97 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -94.18 169.35 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.459 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 2.3 mpt_? -76.1 163.26 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.7 pttm -34.43 120.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -168.89 138.26 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -81.87 -33.33 30.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -114.31 77.87 4.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.22 34.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 p -130.2 111.46 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 1.2 m-85 -93.01 -43.19 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 46.78 39.83 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -102.34 178.6 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -128.74 145.31 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.95 149.88 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 9.3 p -124.08 152.18 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 88' ' ' THR . 28.1 m-85 -146.88 120.12 8.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 83.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 96' ' ' ALA . 2.3 tt -140.74 132.13 13.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.1 Cg_endo -69.77 131.69 21.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 86.7 t80 -36.19 -60.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.72 -41.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -74.19 -52.05 13.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.401 ' N ' HD11 ' A' ' 91' ' ' ILE . . . -52.3 -15.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 52.2 mt-30 -79.99 -49.96 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.28 -24.98 60.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.418 ' CZ ' ' HD2' ' A' ' 64' ' ' PRO . 2.7 mmp_? -72.91 164.0 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.2 m -125.1 144.76 50.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.8 tp -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' ' 102' ' ' LEU . 1.3 tm? -130.72 118.42 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.17 149.28 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -132.41 120.21 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.5 t -94.53 108.35 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 47.9 t -119.77 145.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.468 HG23 ' CG ' ' A' ' 39' ' ' PRO . 98.1 mt -56.8 -52.5 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.13 -169.18 38.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -147.14 177.69 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.1 t -147.66 116.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.405 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 54.5 p -106.33 150.23 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.63 120.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.33 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.31 -20.36 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.8 p -60.27 -29.04 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.35 -10.55 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 128' ' ' ASP . 59.5 t -83.07 154.14 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.417 ' N ' HG11 ' A' ' 127' ' ' VAL . 4.4 m-20 -93.85 72.58 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.48 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.02 -57.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -68.46 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.79 135.84 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.09 127.45 8.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.484 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 19.4 t-160 -154.08 106.42 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.415 ' CD1' ' HG3' ' A' ' 137' ' ' LYS . 45.6 p90 -152.7 179.55 8.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.0 m95 -117.94 125.55 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 18.1 mttt -123.16 159.31 28.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.05 128.01 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.28 137.35 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.5 pt -105.42 151.9 39.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.821 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.82 -24.01 60.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.6 -164.48 25.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -141.82 153.15 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -136.19 138.02 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 13.2 t-160 -97.99 134.87 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -157.46 159.31 37.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.9 p -139.3 129.73 25.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.2 t -114.41 121.83 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -143.9 131.43 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 20.0 t80 -98.75 144.59 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.3 t0 -108.69 128.38 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.42 -26.73 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.01 -47.88 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 35.8 m-70 -108.67 5.33 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 10.0 p30 45.86 52.57 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CD2' HG22 ' A' ' 88' ' ' THR . 1.8 p-80 -132.87 161.99 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.83 109.11 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -94.53 114.99 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -114.46 102.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -84.23 108.17 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -72.27 117.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 16' ' ' HIS . 14.8 mt -98.77 168.13 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.18 179.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.35 -179.02 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -163.02 177.48 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.55 49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -105.85 131.48 21.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 123.82 10.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 154.16 67.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 17.9 p90 -144.2 147.35 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 83' ' ' PHE . 92.4 t -98.54 131.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -105.57 157.76 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.75 136.22 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.12 134.38 11.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.44 93.11 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.6 mm? -69.28 154.78 94.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.359 -0.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 8.6 tppt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.691 0.281 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 2.3 mp0 -125.96 172.81 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -103.69 171.13 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.15 162.15 54.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.08 125.38 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 9.6 mptt -93.23 162.97 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' LYS . 13.9 mmt85 -87.87 165.5 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.8 tttt -30.85 111.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 t -175.01 133.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.97 -43.42 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.4 mtpt -103.37 94.75 6.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 54.0 Cg_endo -69.77 140.89 43.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.4 t -133.8 106.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 58' ' ' VAL . 2.7 m-85 -98.93 -58.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 56.2 47.34 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.31 160.21 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -116.28 143.61 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -142.72 160.52 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -130.19 162.34 29.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 88' ' ' THR . 37.2 m-85 -149.7 112.08 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.59 94.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.45 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 0.6 OUTLIER -150.38 138.61 12.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD2' ' CG1' ' A' ' 91' ' ' ILE . 53.8 Cg_endo -69.77 140.74 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -49.38 -46.57 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 mt -48.96 -38.46 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -78.95 -41.79 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.73 -40.3 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -63.93 -45.47 89.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -69.06 -14.45 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -98.58 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 101' ' ' LEU . 62.7 m -128.05 143.21 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.453 ' N ' HG21 ' A' ' 100' ' ' THR . 9.1 tp -89.78 102.58 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 121' ' ' SER . 2.0 tt -116.24 121.78 43.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.33 124.09 51.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.8 m -107.94 116.54 32.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.6 103.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.6 t -109.39 154.06 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.5 mm -76.4 -43.24 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.16 178.06 48.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -135.06 145.68 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 41.8 t -132.75 102.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 54.7 p -102.67 147.88 26.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -148.38 121.97 4.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.15 4.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.72 -0.23 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.87 -18.71 65.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -118.66 -21.06 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.31 144.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 65.32 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.2 mt -45.03 -54.17 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.6 t -42.48 -58.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -68.05 -71.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.76 152.11 6.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -120.05 136.0 11.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.496 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 7.8 t-160 -161.2 105.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -153.13 179.39 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 6.4 m95 -122.58 132.64 54.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -129.93 165.77 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.43 129.35 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.44 143.27 56.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.4 pt -125.54 150.8 69.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 111.16 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 120.47 7.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.323 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.43 -50.19 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.63 28.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.9 mtp -133.9 154.48 51.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 tp -130.23 139.3 50.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.9 t-160 -99.07 132.34 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -159.3 146.99 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -130.66 125.38 33.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -107.75 124.12 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -142.87 117.7 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.57 129.14 36.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 137.93 36.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.56 -54.8 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -38.79 -38.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 98.6 m-70 -98.15 -29.76 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 71.99 41.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -135.94 175.86 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -104.45 111.2 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -92.99 99.96 12.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.36 108.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.46 106.59 18.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.73 108.34 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.8 mt -88.15 166.01 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.08 173.33 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.57 -179.86 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -161.73 -179.92 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.7 31.2 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.5 mt -100.45 139.1 20.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 10.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 54.1 Cg_endo -69.75 -172.73 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -172.42 158.17 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' CE2' ' A' ' 83' ' ' PHE . 75.3 t -112.69 150.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -118.41 157.41 27.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.96 136.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -156.31 134.81 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.39 121.03 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 3.9 mm? -102.36 156.01 35.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.377 -0.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.722 0.296 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -147.64 172.13 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 p -105.13 164.78 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.26 54.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.0 t -88.94 132.62 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -103.09 165.05 11.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' CD ' ' N ' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -76.21 165.39 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -33.19 124.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -175.11 156.51 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -95.9 -26.09 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -114.39 106.64 52.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.79 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.2 119.03 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 15.5 m-85 -112.61 -64.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 55.82 41.48 30.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.39 153.51 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -110.42 133.28 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -127.02 152.5 47.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.65 147.8 50.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -139.38 117.59 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.98 84.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -138.16 131.51 16.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.03 46.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 94' ' ' LEU . 57.9 t80 -42.48 -63.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 93' ' ' PHE . 58.6 mt -34.6 -59.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -61.58 -44.84 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.84 -50.18 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.18 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -78.42 155.05 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.6 m -118.43 124.39 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.7 104.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 121' ' ' SER . 1.0 OUTLIER -110.95 129.66 55.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -133.88 107.24 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.7 m -95.21 123.89 38.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.0 t -95.38 106.61 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -110.94 132.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.27 -42.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.12 -161.56 34.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -162.19 169.8 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.4 t -137.7 149.61 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.422 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 37.4 p -138.19 116.9 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 137' ' ' LYS . 73.9 t -132.01 125.07 19.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 126.37 13.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.95 29.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.9 t -102.16 -46.98 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.89 -50.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.553 HG22 ' CH2' ' A' ' 135' ' ' TRP . 7.8 p -60.37 155.3 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG23 ' A' ' 127' ' ' VAL . 15.5 m-20 -89.5 112.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.9 mt -85.52 -48.34 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.4 t -42.59 -46.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -59.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 152.82 160.93 9.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.21 127.23 4.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 8.1 t-160 -148.96 110.15 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.553 ' CH2' HG22 ' A' ' 127' ' ' VAL . 31.8 p90 -152.85 178.68 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.572 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 18.3 m95 -124.27 131.91 53.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.472 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 19.9 mttm -129.33 172.75 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.02 130.89 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.74 143.23 56.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.0 pt -114.92 151.57 45.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.655 0.741 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 111.2 2.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.58 -30.6 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.61 -159.84 14.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mtp -141.83 155.2 45.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -131.03 135.48 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 8.1 t-160 -97.88 134.43 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 4.1 p90 -159.1 152.3 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 p -129.56 129.11 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 133' ' ' GLY . 6.4 t -112.33 114.58 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -139.24 121.18 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 22' ' ' ASP . 12.3 t80 -91.34 146.17 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.0 t70 -112.75 117.11 31.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 23' ' ' LEU . 9.0 mp -71.88 -45.83 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.93 -52.09 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 80.8 m-70 -89.54 -10.48 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 55.26 50.33 15.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -139.36 170.7 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -105.41 107.22 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -84.79 99.96 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -106.75 104.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.16 106.76 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' CG2' HD12 ' A' ' 60' ' ' ILE . 85.9 t -70.62 102.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 34' ' ' GLU . 46.9 mt -76.89 165.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 82' ' ' VAL . 11.9 pt-20 -64.57 173.02 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 175.66 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -162.33 179.72 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 62.75 36.24 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -96.75 138.33 21.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.705 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 142.32 47.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.372 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 146.94 61.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.52 ' CZ ' HG13 ' A' ' 106' ' ' VAL . 44.9 p90 -148.36 142.42 25.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.0 t -92.86 129.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -99.94 153.31 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 32' ' ' VAL . 5.9 mt -130.49 154.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.53 156.02 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.2 mt -117.89 101.75 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.0 mt -72.21 156.92 90.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.305 -0.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.455 ' NZ ' ' CE1' ' A' ' 89' ' ' PHE . 9.7 mttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -148.9 144.46 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.451 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 25.7 p -75.66 155.66 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -38.95 153.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.89 137.24 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 19.1 mmtm -84.4 169.5 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' LYS . 9.9 mmt85 -136.18 118.49 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.0 mttm 33.25 54.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 75' ' ' LYS . 2.6 t -136.76 133.32 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.63 -19.98 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -113.11 97.92 44.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.529 0.681 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.78 96.38 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.465 ' HA ' ' CB ' ' A' ' 34' ' ' GLU . 93.3 t -103.44 81.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 8.1 m-85 -72.75 -61.18 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 61.52 34.13 18.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -106.15 155.04 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -109.1 142.25 40.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.75 155.61 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.5 145.35 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' ' NZ ' ' A' ' 70' ' ' LYS . 81.2 m-85 -136.5 126.17 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.15 86.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 99' ' ' ARG . 1.6 tt -142.0 131.23 12.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.73 131.68 21.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' PRO . 71.8 t80 -35.2 -51.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 mp -38.61 -53.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.9 tp10 -66.36 -51.44 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.33 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -48.99 -53.38 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.2 -21.85 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 91' ' ' ILE . 20.4 mmt85 -78.29 146.22 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.3 m -119.34 147.39 44.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 tp -96.02 109.38 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.5 tp -117.22 117.56 29.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.57 152.79 25.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.457 ' CG2' HG21 ' A' ' 116' ' ' VAL . 22.5 m -134.83 147.73 50.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 t -124.6 121.41 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.52 HG13 ' CZ ' ' A' ' 57' ' ' TYR . 5.4 p -137.05 137.47 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.465 ' N ' HG21 ' A' ' 106' ' ' VAL . 1.8 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 104' ' ' THR . 7.4 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.84 -47.26 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 -170.16 38.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -153.34 165.61 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.2 t -139.5 130.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.0 p -115.53 148.26 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.2 p -161.63 117.56 1.32 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.07 15.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.3 mt -91.71 26.48 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.02 -38.59 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -84.7 -51.87 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.557 HG23 ' CH2' ' A' ' 135' ' ' TRP . 14.8 p -59.74 155.37 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.63 112.18 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 130' ' ' VAL . 19.7 mt -82.23 -52.75 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 129' ' ' LEU . 90.7 t -37.8 -54.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -68.08 -54.19 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 140.36 154.89 6.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -126.24 137.38 10.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.499 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 10.6 t-160 -161.17 105.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.557 ' CH2' HG23 ' A' ' 127' ' ' VAL . 35.5 p90 -152.81 177.81 10.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 12.2 m95 -119.05 132.84 56.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.406 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 34.7 mttt -128.35 161.48 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.73 126.15 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -54.27 152.88 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.1 pt -125.45 150.53 68.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 93.6 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 mt -110.87 14.71 22.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 -169.07 35.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.6 mtp -133.82 166.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -143.08 137.68 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 3.3 t-160 -100.15 132.74 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -158.08 169.26 24.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 133' ' ' GLY . 2.1 p -152.05 123.6 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 133' ' ' GLY . 9.0 t -107.7 125.1 50.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 155.3 44.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -119.25 134.43 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.74 115.16 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 26' ' ' ASN . 95.6 mt -70.71 -58.72 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LEU . 13.6 tp -37.4 -32.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 87.0 m-70 -104.95 -24.11 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' LEU . 10.3 m-80 67.91 40.41 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.637 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 2.1 p-80 -136.08 160.69 37.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -92.47 111.53 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.6 m -94.81 100.17 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 t -95.49 105.72 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' NH1' ' C ' ' A' ' 84' ' ' GLU . 8.4 tpp180 -84.47 126.05 32.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 60' ' ' ILE . 21.3 t -101.04 113.11 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 50.1 mt -98.08 164.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 4.8 pt-20 -61.4 -178.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.91 -179.92 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -162.53 168.67 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.06 27.88 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.0 mt -82.75 129.25 62.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.26 68.07 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 2.0 p-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.655 0.74 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.87 15.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 13.2 p90 -165.01 151.43 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -99.1 153.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -125.87 156.96 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.464 HD11 ' CG2' ' A' ' 32' ' ' VAL . 4.0 mt -134.55 158.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.5 t -174.82 151.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 mt -115.4 97.4 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 82.6 mt -65.75 154.02 89.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 14.1 tppt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.486 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -145.4 159.97 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.438 ' OG1' ' CE1' ' A' ' 83' ' ' PHE . 58.3 p -113.76 136.12 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.06 151.33 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.2 m -81.06 137.79 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 3.7 mptt -84.89 165.21 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' LYS . 31.4 mmt180 -76.22 165.64 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 2.4 ptpp? -32.57 111.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -170.99 162.59 7.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -94.69 -26.7 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 14.6 pttp -123.95 100.9 36.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 53.9 Cg_endo -69.76 118.7 5.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -100.82 105.43 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' O ' ' CD ' ' A' ' 85' ' ' GLU . 40.0 m-85 -91.12 -62.63 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.496 ' C ' ' NH1' ' A' ' 31' ' ' ARG . 22.5 mt-10 54.22 39.38 30.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 83' ' ' PHE . 8.1 mp0 -115.26 148.22 39.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -107.32 147.06 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.414 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 98.9 m-85 -134.86 156.43 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.6 p -128.53 159.83 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 88' ' ' THR . 44.7 m-85 -148.49 124.49 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -71.68 80.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -141.59 134.1 13.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 146.71 61.13 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 96' ' ' ALA . 14.9 t80 -50.68 -63.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' PHE . 66.5 mt -34.52 -43.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -73.26 -43.95 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -47.68 -45.64 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.47 -44.65 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.21 -21.31 63.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -92.1 152.37 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.9 m -116.52 147.13 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.3 tp -90.65 116.08 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.84 109.52 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mp -105.34 133.77 49.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.7 m -125.91 134.96 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.2 t -108.1 107.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 2.8 t -111.82 147.19 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.784 0.325 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.71 -42.92 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.18 -174.06 46.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -145.77 156.26 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 37.5 t -136.93 114.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 p -99.87 148.98 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.4 p -161.56 120.78 1.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 mt -85.07 22.76 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.47 -9.88 21.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.19 -37.23 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.481 HG21 ' CZ3' ' A' ' 135' ' ' TRP . 12.6 p -80.49 117.99 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.07 82.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.26 -45.52 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.6 t -37.69 -57.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -70.41 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.33 6.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -120.03 137.78 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.414 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 14.1 t-160 -163.02 105.64 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.481 ' CZ3' HG21 ' A' ' 127' ' ' VAL . 38.0 p90 -152.92 179.43 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.3 m95 -117.35 133.16 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -131.06 163.18 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.29 121.46 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.37 154.22 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 4.5 pt -128.18 153.93 78.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.163 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.49 2.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 141' ' ' PRO . 78.2 mt -132.43 -44.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -153.51 22.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.4 mtp -146.16 148.17 32.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tp -128.58 131.15 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -87.18 128.1 35.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -156.25 156.58 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 10.2 p -142.76 146.24 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -121.58 128.83 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -143.34 117.5 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -89.1 123.49 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.21 116.24 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.2 -42.76 62.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.35 -51.41 54.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 99.2 m-70 -93.1 -3.75 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 49.74 53.29 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -137.88 179.28 6.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 tp -111.89 109.86 19.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.46 102.99 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -107.39 105.41 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -99.07 120.92 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG13 ' CD1' ' A' ' 83' ' ' PHE . 92.1 t -82.25 107.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 134' ' ' HIS . 17.8 mt -83.69 167.6 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' H ' ' CG2' ' A' ' 33' ' ' ILE . 13.9 pt-20 -59.15 -178.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.8 177.27 11.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -166.5 173.04 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.68 37.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 mt -99.68 136.67 20.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.89 66.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.4 m120 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.594 0.711 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -166.96 146.38 5.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 83' ' ' PHE . 58.6 t -101.61 145.0 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -112.86 158.6 19.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -131.41 141.87 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.5 p -157.97 135.21 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.8 mt -104.1 104.82 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 4.1 mm? -68.6 157.37 88.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.341 -0.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.683 0.278 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -147.03 149.41 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.8 p -96.86 159.49 14.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.68 164.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 87.3 t -90.42 149.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.05 169.4 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.9 mmt180 -124.93 105.12 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' ARG . 5.3 ptpt 31.28 55.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 75' ' ' LYS . 1.9 t -129.83 112.43 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.17 -31.83 67.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -105.68 92.77 6.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.9 5.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.29 88.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.575 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.1 m-85 -77.3 -39.24 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 42.48 35.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 8.5 tp10 -105.02 158.5 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 35.3 ptt180 -119.05 152.83 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -139.48 157.91 45.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 8.9 p -125.09 151.36 45.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 88' ' ' THR . 34.7 m-85 -146.75 113.96 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.94 85.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 96' ' ' ALA . 3.6 tt -137.92 129.9 16.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.74 133.52 25.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 37.4 t80 -34.61 -59.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -35.91 -47.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -70.43 -53.33 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.448 ' N ' HD12 ' A' ' 91' ' ' ILE . . . -39.14 -53.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.409 ' NE2' ' CD2' ' A' ' 93' ' ' PHE . 48.6 mt-30 -49.89 -42.61 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -70.62 -36.91 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -63.37 157.98 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.1 m -127.61 114.26 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.32 97.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -111.48 110.19 20.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 mp -103.92 144.01 32.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 m -130.86 109.12 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.28 109.27 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 107' ' ' ASP . 42.9 t -113.65 141.07 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.457 ' N ' HG13 ' A' ' 106' ' ' VAL . 9.0 m-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.318 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 mm -82.01 -34.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.81 -178.49 35.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -147.78 156.53 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 121' ' ' SER . 98.1 t -128.64 141.33 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.43 ' N ' HG12 ' A' ' 120' ' ' VAL . 92.3 p -127.61 120.16 27.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 137' ' ' LYS . 48.4 t -137.33 123.46 13.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.76 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.08 29.95 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.14 -51.17 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -82.33 -42.1 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.4 t -47.29 148.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -90.43 82.92 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 130' ' ' VAL . 12.0 mt -60.28 -47.64 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' LEU . 92.6 t -34.03 -51.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -87.97 -72.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.28 177.02 44.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.526 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -144.87 66.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 3.1 m80 -86.81 110.64 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.526 ' CZ3' ' HA3' ' A' ' 133' ' ' GLY . 10.5 p90 -153.13 179.72 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.6 m95 -128.22 120.8 27.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.465 ' HD2' ' CG2' ' A' ' 122' ' ' VAL . 20.8 mttm -120.32 159.18 25.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -93.66 150.18 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.56 144.07 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.7 pt -115.08 152.4 46.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.46 ' N ' HD12 ' A' ' 12' ' ' LEU . 53.8 Cg_endo -69.76 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.775 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.22 -37.09 11.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.18 -162.0 28.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 mtp -149.58 136.73 19.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.6 tp -119.91 143.17 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.3 t-160 -101.45 132.25 47.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -158.94 162.96 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.0 p -147.06 133.87 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -114.55 119.83 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -138.02 117.8 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -88.08 128.65 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.46 128.48 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.57 -23.13 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -50.86 55.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 41.6 m80 -89.73 -18.92 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 69.09 47.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -142.16 172.71 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.413 ' CG2' ' HG3' ' A' ' 86' ' ' ARG . 2.1 m -113.28 111.71 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.8 102.87 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -88.97 107.65 19.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.2 t -72.38 117.04 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 51.3 mt -96.78 164.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 13.0 pt-20 -61.62 174.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.29 -179.6 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -163.99 170.48 16.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.09 53.34 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 mt -109.25 140.19 21.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.48 19.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 163.25 39.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 1.7 p90 -166.36 133.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 59' ' ' LYS . 57.8 t -94.66 158.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' HG11 ' A' ' 58' ' ' VAL . 20.0 mtpp -126.4 160.89 29.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -134.82 134.28 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 t -152.58 144.62 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -104.34 95.2 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.5 mt -61.52 154.35 65.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.342 -0.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.459 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -149.96 135.71 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.466 ' OG1' ' CE2' ' A' ' 83' ' ' PHE . 53.3 p -61.08 -69.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.77 136.01 1.92 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 55' ' ' ASN . 10.9 p -72.45 117.69 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.2 169.46 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' LYS . 23.6 mmt85 -75.82 165.59 24.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.8 mtmm -31.85 116.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 t -166.3 147.92 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -89.23 -34.47 16.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -110.69 92.54 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 107.22 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.39 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.98 127.71 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.466 ' CE2' ' OG1' ' A' ' 72' ' ' THR . 0.3 OUTLIER -117.25 -42.0 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 48.5 45.22 21.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -104.1 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HG3' ' CG2' ' A' ' 29' ' ' THR . 25.7 ttp180 -127.29 129.81 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -119.83 151.01 39.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -132.09 129.2 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.81 86.95 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 tt -146.29 132.92 9.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.192 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.78 130.46 19.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 17.2 t80 -34.74 -59.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -35.06 -55.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.2 -45.19 92.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.18 -40.88 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -55.93 -45.29 78.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -80.1 -8.9 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -91.49 146.89 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.7 m -113.48 139.63 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.8 tp -88.66 103.32 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.404 HD22 ' CB ' ' A' ' 121' ' ' SER . 1.1 tm? -104.32 123.92 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.25 109.04 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.4 m -91.27 144.95 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.3 t -119.96 103.34 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 t -104.97 159.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mt -78.75 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -171.23 -165.54 28.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -158.11 164.63 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 54.0 t -135.78 111.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.404 ' CB ' HD22 ' A' ' 102' ' ' LEU . 4.7 p -108.66 141.09 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.21 124.39 3.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 127.13 14.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.6 mt -84.86 21.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.55 -54.53 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.91 -46.54 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.502 HG23 ' CH2' ' A' ' 135' ' ' TRP . 69.1 t -46.38 151.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -95.69 80.07 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 130' ' ' VAL . 23.6 mt -51.75 -55.21 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 129' ' ' LEU . 14.6 t -35.33 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -86.03 -66.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.96 172.63 27.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.595 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -135.87 60.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.442 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 10.0 t-160 -83.68 102.76 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.3 p90 -152.41 178.66 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.3 m95 -123.27 129.5 51.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.45 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 33.6 mttt -125.26 165.22 18.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -105.12 132.43 51.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.54 137.12 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.0 pt -108.73 152.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.19 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.94 -56.01 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.96 -165.42 36.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mtp -140.15 157.62 45.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 tp -142.62 129.38 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 5.0 t-160 -89.19 130.46 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -155.01 164.96 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 p -145.3 129.05 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -111.5 115.32 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -139.74 133.23 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -99.66 135.47 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.38 113.35 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.89 -41.44 78.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.32 -40.49 64.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 36.0 m80 -100.52 -2.37 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p30 46.79 44.44 14.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.4 p-80 -138.03 170.18 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -99.2 119.97 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -97.15 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.01 102.66 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -99.96 123.62 44.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.72 109.17 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 34' ' ' GLU . 29.3 mt -86.6 166.91 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' N ' HG23 ' A' ' 33' ' ' ILE . 6.9 pt-20 -59.24 161.87 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.46 -179.83 5.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -166.1 175.9 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 63.85 35.86 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' CD1' ' HD2' ' A' ' 81' ' ' PRO . 90.3 mt -99.65 131.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.0 22.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.409 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 12.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.81 48.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 40.2 p90 -144.8 146.33 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -99.59 140.6 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -109.12 150.82 27.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.81 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.8 p -165.54 168.59 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 143.76 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 58.3 mt -120.29 155.33 56.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.383 -0.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 2.0 tpmt? . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -151.21 156.42 40.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.2 p -103.81 130.15 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.22 154.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 m -75.08 128.21 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 34.8 mmtt -81.35 167.07 19.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' LYS . 17.6 mmm-85 -77.4 165.58 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -31.6 120.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -174.16 153.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.88 -29.04 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 108.36 10.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HD2' ' CD1' ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 135.81 31.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.7 93.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -90.36 -45.5 8.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 49.8 42.4 23.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.88 160.53 14.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 87' ' ' TYR . 20.2 ttm180 -110.06 151.84 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 76.4 m-85 -142.32 162.02 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.43 HG21 ' CD2' ' A' ' 27' ' ' HIS . 2.5 p -139.22 145.47 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -134.62 127.67 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.62 81.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 tt -140.03 132.1 14.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.84 130.87 19.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 73.7 t80 -37.2 -57.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -36.33 -55.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.13 -50.26 55.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -39.32 -48.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.535 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 39.1 mt-30 -55.17 -42.66 73.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.63 -5.68 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -101.37 155.7 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -119.43 133.47 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 tp -81.08 98.53 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.9 tp -103.17 128.0 50.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mp -121.47 150.93 40.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 m -141.29 131.38 24.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.52 102.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.0 t -102.45 158.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 52.0 mt -44.78 -41.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.46 -177.89 48.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -151.44 164.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.2 t -145.22 109.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -106.5 133.91 50.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.68 123.26 13.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 37.4 mt -95.29 19.22 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 24.4 p -103.2 -5.57 23.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -116.83 -22.12 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.0 p -103.47 140.43 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.6 115.23 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 132' ' ' GLY . 11.6 mt -73.6 -55.88 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.5 m -41.46 -37.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -73.75 -33.35 64.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 106.06 134.07 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.44 138.95 14.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.488 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 5.2 t-160 -163.85 105.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.462 ' CD1' ' HE2' ' A' ' 137' ' ' LYS . 41.4 p90 -153.22 173.3 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.582 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 10.6 m95 -110.4 138.93 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.462 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 16.2 mttm -135.2 162.8 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.12 124.7 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.87 133.98 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.1 pt -106.42 151.21 40.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 109.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.821 0.344 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.87 -57.08 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.83 -158.34 28.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtp -142.89 148.07 36.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.72 136.06 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -96.26 132.4 41.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -156.91 154.95 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 p -135.1 126.54 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 133' ' ' GLY . 6.1 t -108.95 119.09 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -137.77 129.44 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 19.4 t80 -102.15 133.25 47.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 6.8 t0 -91.03 132.72 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.84 -28.37 20.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -46.7 81.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -95.65 -13.0 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 60.7 48.77 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.9 p-80 -136.24 177.17 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -105.78 116.87 32.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 m -100.26 98.45 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.56 106.45 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -97.33 106.35 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -73.08 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 48.0 mt -116.26 165.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 9.3 pt-20 -58.46 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.26 -179.41 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 4.1 ptp180 -161.88 167.1 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.22 36.87 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' CD1' ' CD ' ' A' ' 81' ' ' PRO . 90.7 mt -100.79 132.43 22.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 141.29 44.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.7 p30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.469 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 46.9 p90 -171.88 133.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.19 134.77 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -103.88 163.95 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.4 mt -136.97 137.4 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.89 136.24 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -88.32 96.28 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.8 mm? -71.9 156.44 90.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.328 -0.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.684 0.278 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.96 161.52 41.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.479 ' OG1' ' CE2' ' A' ' 83' ' ' PHE . 44.3 p -96.58 -0.74 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.57 173.09 44.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -104.42 130.0 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -95.45 164.08 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.6 mpt_? -76.63 165.85 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ARG . 16.8 ttpt -30.26 116.48 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -171.62 145.48 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 79' ' ' GLN . 12.6 mm100 -87.22 -16.13 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' O ' ' CD ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -125.76 106.66 26.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CD ' ' CD1' ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.79 107.31 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.04 118.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.479 ' CE2' ' OG1' ' A' ' 72' ' ' THR . 0.1 OUTLIER -115.7 -44.93 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.51 51.88 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -107.39 172.79 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -130.73 128.44 40.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.61 155.79 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 p -125.86 149.28 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.6 m-85 -141.21 130.33 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -79.21 90.54 4.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.53 132.29 8.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 131.9 22.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.47 ' CD1' ' NE2' ' A' ' 97' ' ' GLN . 59.6 t80 -35.96 -55.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PHE . 25.1 mt -36.62 -54.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.461 ' CG ' ' NH1' ' A' ' 99' ' ' ARG . 27.0 tt0 -64.14 -44.86 90.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.17 -46.96 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' NE2' ' CD1' ' A' ' 93' ' ' PHE . 43.0 mt-30 -59.7 -33.52 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 95' ' ' GLU . 37.0 mtp180 -78.44 -32.83 48.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.461 ' NH1' ' CG ' ' A' ' 95' ' ' GLU . 46.6 mmt-85 -80.69 169.39 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.2 m -128.83 151.53 49.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.7 tp -99.44 101.79 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 121' ' ' SER . 13.9 tp -111.2 139.04 46.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mp -131.92 102.67 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.9 m -89.5 126.61 35.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.6 t -94.87 102.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.469 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 6.2 t -114.82 141.81 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.0 mt -78.49 -39.94 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.66 -178.82 45.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -145.23 140.3 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.8 t -121.45 117.72 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.44 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 29.1 p -107.52 152.26 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.3 p -158.84 121.46 1.98 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.11 12.96 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.74 2.293 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.7 mt -84.77 21.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.3 m -85.0 -51.72 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -74.84 -51.2 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.546 HG22 ' CH2' ' A' ' 135' ' ' TRP . 75.0 t -53.81 145.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.75 81.38 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.9 mt -45.38 -51.4 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 31.1 m -51.01 -35.72 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -88.08 -10.0 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.54 160.52 34.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -137.87 140.26 11.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.498 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 10.1 t-160 -164.92 108.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.546 ' CH2' HG22 ' A' ' 127' ' ' VAL . 39.1 p90 -153.11 178.2 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 14.3 m95 -120.26 129.17 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.423 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 12.3 mttm -125.05 173.2 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.93 137.33 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.84 153.88 43.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.3 pt -132.42 153.34 81.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 111.137 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.808 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.07 -29.74 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.13 -160.75 22.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.8 mtp -141.71 156.89 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 tp -135.89 133.23 37.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.618 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 9.6 t-160 -89.26 125.79 35.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -157.67 154.02 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 3.2 p -141.05 141.91 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.449 ' CG2' HG13 ' A' ' 127' ' ' VAL . 8.9 t -117.21 110.37 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -127.8 154.01 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -122.31 126.84 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.66 109.15 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 23' ' ' LEU . 2.8 mm? -69.36 -33.27 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.06 -45.19 89.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.39 -11.75 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.463 ' C ' ' CD2' ' A' ' 27' ' ' HIS . 1.7 p-80 -139.49 167.74 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -94.14 126.05 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -112.65 105.58 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -106.03 103.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -90.24 109.26 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -73.08 111.62 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 41.3 mt -91.13 165.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 7.2 pt-20 -60.38 -174.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.56 -179.25 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NE ' ' CH2' ' A' ' 136' ' ' TRP . 21.5 ptt180 -163.83 175.39 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.42 35.7 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.97 123.17 61.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.78 67.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 84.0 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.48 40.48 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.361 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -148.6 142.8 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.56 141.88 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -116.04 155.66 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -129.14 135.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.32 139.59 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.9 mt -99.41 144.0 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.516 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 64.5 mt -121.75 155.06 60.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 -0.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -165.1 156.4 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -90.95 145.53 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.65 157.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 39.5 t -72.66 124.83 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -89.96 163.24 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.2 mmt180 -95.79 165.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' ARG . 24.1 ttpt -33.85 107.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -167.94 150.83 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -89.17 -43.11 11.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -104.57 92.65 5.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.77 127.5 14.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.19 106.59 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.9 m-85 -100.71 -51.55 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 49.56 48.34 21.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -108.52 148.8 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.01 138.7 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -127.6 161.05 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.576 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.2 p -133.61 148.13 51.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.2 m-85 -142.1 115.38 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -66.57 93.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -146.29 133.04 9.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.9 Cg_endo -69.77 124.89 11.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' LEU . 17.5 t80 -34.49 -61.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' PHE . 77.8 mt -34.28 -45.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -76.08 -50.89 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.36 -30.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -67.44 -44.43 78.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -81.59 12.9 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -103.71 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.8 m -139.27 137.94 36.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.0 tp -91.02 115.88 28.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 121' ' ' SER . 1.4 tm? -122.87 120.78 34.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 mp -120.24 125.17 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -108.54 147.93 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.1 t -124.02 111.8 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.55 159.28 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.87 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.8 mt -79.75 -30.95 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.01 173.19 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -144.26 152.24 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 79.4 t -128.7 119.22 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.458 ' CB ' HD22 ' A' ' 102' ' ' LEU . 3.9 p -113.93 133.3 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.21 125.76 8.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 138.58 38.11 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 mt -102.32 18.65 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.6 t -74.96 -26.7 59.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.47 -36.81 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.449 HG13 ' CG2' ' A' ' 19' ' ' THR . 23.3 t -37.89 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.75 99.2 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 79.2 mt -84.56 -42.67 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.98 -24.89 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -105.99 -11.73 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.59 164.7 33.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.438 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -139.28 76.69 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 4.0 m80 -94.11 113.24 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.313 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.438 ' CZ3' ' HA3' ' A' ' 133' ' ' GLY . 12.3 p90 -153.56 179.21 9.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.618 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.2 m95 -130.6 117.69 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -112.72 164.22 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.35 128.39 48.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.88 137.21 58.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.9 pt -110.49 150.1 41.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 141' ' ' PRO . 42.3 mt -94.61 -33.36 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.83 -148.35 17.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.6 mtp -153.15 136.16 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.3 136.63 49.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.5 t-160 -97.44 132.72 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' HD23 ' A' ' 101' ' ' LEU . 33.5 p90 -158.17 158.09 33.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -141.39 129.72 22.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.433 ' CG2' HG13 ' A' ' 127' ' ' VAL . 8.8 t -110.99 117.27 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -138.79 124.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.0 t80 -98.6 128.69 45.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.5 m-20 -95.65 126.28 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.01 -31.51 30.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -43.11 57.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -116.44 15.18 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 40.3 49.54 2.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.7 p-80 -131.61 163.29 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.29 115.28 29.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -94.34 96.9 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -101.78 103.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -92.03 102.14 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.82 103.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 17' ' ' PHE . 28.2 mt -78.04 166.74 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 12.1 pt-20 -69.52 -175.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.59 177.04 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -166.48 163.55 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 70.71 47.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.0 mt -98.56 149.5 35.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.89 18.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 9.1 p-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.609 0.718 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.32 21.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.501 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 27.5 p90 -166.99 132.96 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 59' ' ' LYS . 97.1 t -99.86 142.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 58' ' ' VAL . 50.3 mtmt -113.8 164.09 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -134.6 113.06 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.7 m -122.96 139.33 54.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 mt -107.78 91.73 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 79.8 mt -57.88 152.82 36.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.362 -0.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.2 tppt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 8.9 tt0 -137.42 145.88 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.8 p -84.66 -58.82 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.87 -175.24 45.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 84.2 t -108.2 121.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 16.4 mmtp -80.63 168.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 21.2 mmt85 -118.97 109.68 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.9 mttp 35.39 55.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -115.23 137.14 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.58 107.94 17.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.55 0.69 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.8 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.405 ' N ' ' HZ1' ' A' ' 75' ' ' LYS . 87.2 t -101.35 72.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 74.7 m-85 -69.44 -50.89 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 51.4 41.69 28.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -108.62 147.95 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.25 150.66 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.87 150.43 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.0 p -124.16 157.37 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -148.54 112.78 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.59 82.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 tt -136.39 132.2 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' LEU . 54.3 t80 -39.02 -60.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -34.8 -47.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.47 -45.17 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.14 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -56.59 -41.09 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -70.99 -43.82 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.8 169.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 101' ' ' LEU . 89.8 m -138.46 139.27 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.455 ' N ' HG22 ' A' ' 100' ' ' THR . 17.8 tp -81.74 113.07 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -124.27 111.99 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mp -108.17 128.08 54.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.2 m -117.64 130.47 56.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.12 102.41 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.501 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 16.9 t -110.95 135.44 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.1 mm -40.08 -55.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.77 -173.83 42.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.63 159.94 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 72.3 t -140.72 133.6 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 p -118.3 150.58 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.9 p -165.08 121.71 1.06 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.77 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.382 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.04 -26.93 67.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 126' ' ' GLU . 12.8 p -47.66 -44.73 27.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 127' ' ' VAL . 19.1 pt-20 -85.87 -45.56 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 79.3 t -45.6 156.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.422 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.5 m-20 -97.7 88.73 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 21' ' ' TYR . 22.0 mt -69.48 -51.03 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.01 -54.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.68 -45.88 60.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 126.95 150.97 7.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.45 125.79 5.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.445 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 8.8 t-160 -151.31 107.56 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.822 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.451 ' NE1' ' HE3' ' A' ' 137' ' ' LYS . 45.0 p90 -153.09 179.2 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.9 m95 -121.71 114.66 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.451 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 22.4 mttt -109.02 168.86 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -111.28 119.36 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.4 mp -48.74 164.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.1 pt -137.1 152.23 73.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.453 ' N ' HD11 ' A' ' 12' ' ' LEU . 54.3 Cg_endo -69.73 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.844 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.03 -42.38 80.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.36 -158.23 23.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 63.4 mtp -140.13 146.62 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 tp -123.86 139.86 53.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.4 t-160 -98.03 133.21 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.87 154.74 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -134.77 120.39 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -100.64 113.14 25.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -135.96 131.73 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 10.9 t80 -103.41 138.65 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.7 m-20 -107.17 132.5 52.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -86.52 -37.94 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.4 tm? -43.09 -42.85 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -113.31 -0.34 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.3 43.89 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -126.74 168.46 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 tp -97.78 113.92 25.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 m -92.2 98.26 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -108.76 105.48 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -95.74 116.16 28.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.35 112.24 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 34' ' ' GLU . 33.3 mt -90.73 164.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 16.9 pt-20 -62.13 -177.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.73 -179.15 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -164.06 160.92 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 73.14 42.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.8 mt -100.72 135.9 19.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.625 0.726 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.41 63.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 48.6 p90 -154.33 152.89 30.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.8 144.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HG13 ' A' ' 60' ' ' ILE . 5.3 mtmp? -111.05 162.22 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 59' ' ' LYS . 5.1 mt -138.18 113.07 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.1 m -125.99 136.87 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.5 mt -105.05 91.64 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 33.2 mt -62.87 155.01 73.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.552 0.692 . . . . 0.0 110.947 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.404 -0.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 87' ' ' TYR . 10.9 tptp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.482 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.0 pt20 -143.41 142.11 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -81.31 -178.07 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.36 -156.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.85 143.0 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -115.3 157.1 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LYS . 1.6 mpt_? -76.21 163.53 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.3 pmtp? -29.35 130.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -176.7 163.44 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -99.33 -42.16 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -110.5 106.49 57.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 122.76 9.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 34' ' ' GLU . 2.0 p -137.85 107.07 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -106.83 -46.18 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 58.22 49.63 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -107.66 153.18 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -103.79 134.98 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.574 ' CD2' ' HE3' ' A' ' 70' ' ' LYS . 68.3 m-85 -126.88 155.73 42.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 p -131.8 153.44 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 88' ' ' THR . 26.7 m-85 -144.0 128.66 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.11 83.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -137.16 132.2 17.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.59 28.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 41.8 t80 -38.71 -64.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.4 mp -36.03 -44.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.6 -49.07 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.21 -44.95 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -60.25 -47.75 84.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -65.98 -31.22 72.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -78.53 157.71 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 101' ' ' LEU . 27.2 m -121.13 143.64 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 103' ' ' LEU . 21.8 tp -86.89 108.98 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -115.37 106.35 13.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 101' ' ' LEU . 3.2 mp -101.8 117.11 34.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.4 m -107.8 123.75 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.72 111.05 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.425 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 57.4 t -113.7 150.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.42 -39.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 166.53 170.23 31.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -136.13 146.87 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.0 t -128.98 120.24 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.467 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 60.4 p -110.19 152.36 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.1 p -163.81 127.78 1.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 125.46 12.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.35 26.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.14 -48.61 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -85.7 -43.34 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.539 HG13 ' CZ3' ' A' ' 135' ' ' TRP . 73.8 t -53.97 134.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 127' ' ' VAL . 1.6 m-20 -78.59 105.01 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 132' ' ' GLY . 10.2 mt -74.47 -72.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -38.33 -42.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -71.75 -40.1 69.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 115.79 136.27 5.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.72 136.23 12.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.471 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 11.0 t-160 -155.69 109.33 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.539 ' CZ3' HG13 ' A' ' 127' ' ' VAL . 40.8 p90 -151.8 178.1 9.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.571 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 21.2 m95 -120.92 123.95 43.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -119.04 167.95 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.95 113.49 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.8 mp -45.09 152.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.7 pt -124.59 151.83 67.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.644 0.735 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.69 2.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.95 -39.43 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.47 -157.71 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.8 mtp -147.0 150.55 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -128.44 136.87 51.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.5 t-160 -96.42 131.52 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -157.43 159.12 37.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.2 p -138.77 121.7 16.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 t -104.19 115.22 30.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -139.5 126.43 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -92.98 126.79 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 8.4 m-20 -82.7 121.3 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.34 -27.57 32.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -52.0 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.533 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.4 m80 -86.26 -2.79 58.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 50.81 50.19 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.7 p-80 -145.83 170.46 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -96.74 114.2 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -95.08 99.42 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -104.23 104.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -97.88 122.3 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.57 126.93 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 25.1 mt -105.39 165.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.454 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 12.4 pt-20 -64.57 161.9 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.7 -179.32 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -164.91 167.06 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 71.56 33.12 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.27 141.67 23.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.62 19.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.2 m-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.702 0.763 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.39 16.65 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -172.21 134.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 59' ' ' LYS . 93.8 t -94.14 137.89 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' HG13 ' A' ' 58' ' ' VAL . 43.2 mtpt -102.97 159.35 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.31 144.16 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.0 t -169.67 163.36 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 mt -123.19 96.69 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 46.1 mt -58.81 155.68 29.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.358 -0.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.734 0.302 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -163.87 132.35 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.4 p -66.73 150.69 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.11 160.28 27.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 88.6 t -74.85 126.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -89.0 169.15 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' LYS . 19.4 mmm180 -85.76 161.8 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ARG . 13.1 mptt -37.08 114.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -175.24 159.62 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -91.3 -45.0 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -102.7 105.38 44.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.79 136.5 33.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.43 95.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -96.36 -59.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 60.86 39.89 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 6.4 tp10 -103.19 153.34 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 43.2 ttp180 -104.24 148.33 26.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -137.31 154.47 50.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 3.3 p -128.7 163.95 24.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 88' ' ' THR . 65.5 m-85 -157.74 126.77 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -72.99 82.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -137.56 132.34 17.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.51 28.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 77.4 t80 -39.22 -45.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.4 -52.17 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' ALA . 16.5 tt0 -64.09 -54.78 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.38 -45.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.595 ' OE1' ' CD2' ' A' ' 93' ' ' PHE . 31.0 mt-30 -53.28 -57.34 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.43 -26.62 66.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -73.15 139.98 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -106.75 124.47 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.2 tp -65.96 115.86 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 121' ' ' SER . 0.6 OUTLIER -117.32 122.11 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 mp -127.98 101.2 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -99.62 129.9 45.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.9 t -98.66 103.51 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.07 133.54 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 mt -44.38 -60.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.0 -179.43 38.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -152.69 153.73 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.9 t -123.94 132.84 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.44 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 73.7 p -129.19 116.94 19.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 137' ' ' LYS . 37.8 t -131.33 126.9 21.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.72 13.67 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.0 mt -96.37 26.15 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.75 -12.56 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -125.54 -33.85 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.555 HG11 ' CH2' ' A' ' 135' ' ' TRP . 88.9 t -56.11 137.12 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.456 ' N ' HG13 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -67.77 90.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLY . 46.4 mt -74.58 -66.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.5 m -40.24 -41.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -82.44 -29.06 30.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 114.42 161.32 13.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.96 132.85 6.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.477 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 2.5 t-160 -153.75 109.24 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.555 ' CH2' HG11 ' A' ' 127' ' ' VAL . 42.8 p90 -152.89 179.35 8.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.9 m95 -122.0 122.28 38.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.473 ' HD2' ' CG2' ' A' ' 122' ' ' VAL . 12.3 mttm -117.93 176.56 5.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.2 142.19 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.31 140.71 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.0 pt -113.73 151.0 44.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.689 0.757 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.32 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -94.38 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.12 -157.85 27.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.41 ' HE1' ' C ' ' A' ' 137' ' ' LYS . 44.6 mtp -149.77 144.01 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 tp -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.617 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 12.8 t-160 -93.76 127.62 39.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -159.37 172.39 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.9 p -150.31 132.92 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -105.76 116.47 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -139.65 119.81 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -91.48 134.37 34.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 m-20 -99.2 129.92 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.8 mm? -85.63 -39.98 16.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -42.58 -43.47 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 26.6 m-70 -111.67 -7.71 14.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 62.35 37.72 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CE1' HG23 ' A' ' 88' ' ' THR . 1.5 p-80 -118.38 169.35 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -101.99 116.63 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.77 97.95 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.82 102.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -92.33 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.8 t -84.38 102.72 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.7 mt -80.64 164.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -54.4 173.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.31 176.09 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -157.5 172.03 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 70.93 41.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.32 129.42 29.28 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.471 ' CG ' HG22 ' A' ' 117' ' ' ILE . 54.2 Cg_endo -69.71 151.18 69.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.454 ' CB ' HG13 ' A' ' 74' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.1 Cg_endo -69.8 135.64 30.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -152.27 136.27 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.87 139.87 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -99.31 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' LYS . 10.6 mt -137.88 118.24 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -133.82 132.31 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.19 91.67 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 26.4 mt -58.83 154.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.341 -0.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ILE . 8.0 tppt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.672 0.272 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.9 pt20 -129.7 150.79 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -83.47 166.7 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.31 -170.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.454 HG13 ' CB ' ' A' ' 55' ' ' ASN . 92.7 t -124.58 122.48 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -106.93 169.3 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' LYS . 55.6 mmm-85 -76.28 156.53 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' ARG . 15.2 pttt -36.48 115.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 t -163.68 117.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -45.64 -55.41 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 4.0 mptt -99.74 100.23 10.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.483 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.75 154.5 67.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.1 t -131.43 92.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 20.1 m-85 -98.6 -51.71 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER 33.57 47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -102.28 168.39 9.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -136.0 151.84 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 27' ' ' HIS . 8.9 p -128.0 148.59 50.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -141.12 123.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -71.46 94.81 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 1.5 tt -154.19 133.04 7.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 139.21 39.68 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.478 ' O ' ' C ' ' A' ' 94' ' ' LEU . 31.5 t80 -37.39 -64.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' PHE . 8.6 mp -31.93 -54.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE2' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -61.42 -52.46 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.58 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -47.71 -41.49 22.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -71.75 -35.33 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 95' ' ' GLU . 18.2 mmt85 -74.39 150.78 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.6 m -116.87 131.93 56.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.94 105.03 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 119' ' ' LYS . 3.9 tt -121.48 124.88 45.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mp -115.45 114.68 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.9 m -101.33 111.51 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.4 t -80.49 110.69 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.36 142.42 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.471 HG22 ' CG ' ' A' ' 39' ' ' PRO . 58.5 mt -50.18 -52.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -179.19 178.93 48.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 102' ' ' LEU . 9.2 pttp -142.77 160.37 40.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.6 t -134.47 100.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -96.35 143.33 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.4 p -152.23 130.17 6.04 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.746 2.297 . . . . 0.0 112.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 129' ' ' LEU . 11.1 mt -88.47 34.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.2 p -116.21 -22.8 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.84 -45.6 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.563 HG21 ' CZ3' ' A' ' 135' ' ' TRP . 10.2 p -67.7 145.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.14 99.35 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 124' ' ' LEU . 10.2 mt -75.21 -52.6 10.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 87.8 t -47.13 -38.91 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -80.86 -68.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.02 165.81 18.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.629 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -145.22 61.22 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.5 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 10.6 t-80 -83.63 98.7 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.629 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 9.1 p90 -147.81 174.02 12.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.617 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.7 m95 -115.02 132.93 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.41 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.3 mttt -127.51 156.82 41.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.29 126.83 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.24 157.3 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 5.9 pt -135.46 152.72 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.072 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -46.69 -52.34 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.26 -156.49 27.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.6 mtp -146.01 155.99 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.2 tp -132.06 141.52 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.6 t-160 -98.28 129.13 45.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.37 168.42 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.39 139.74 20.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.5 t -116.9 114.92 24.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -134.44 126.16 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -96.63 131.53 43.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.47 127.7 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ASN . 3.7 mm? -81.27 -54.87 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' CD2' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -40.62 -44.65 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.505 ' CD2' ' HG ' ' A' ' 24' ' ' LEU . 31.7 m170 -94.79 -10.55 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' LEU . 38.1 m-80 51.25 51.34 17.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -146.28 170.91 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.41 125.87 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.9 m -115.12 101.47 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -96.45 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.01 102.39 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.62 125.54 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 27.8 mt -108.77 165.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 12.3 pt-20 -58.43 -178.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.72 176.97 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -165.8 168.78 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.04 26.38 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.1 127.77 50.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 133.52 25.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.4 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 53.7 Cg_endo -69.7 172.77 11.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 28.0 p90 -166.27 132.91 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 105' ' ' VAL . 70.8 t -101.1 160.33 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 18.3 mtpp -126.35 163.82 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.1 mt -133.52 151.21 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 t -165.66 169.81 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.5 mt -125.81 100.0 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 35.8 mt -65.69 155.73 85.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.31 -0.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -148.63 132.74 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 83' ' ' PHE . 69.0 p -83.5 142.74 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -40.89 118.78 1.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.8 112.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -74.36 167.67 21.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -131.91 139.31 48.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mttp 59.31 52.74 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -159.96 140.27 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -89.55 -29.96 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -107.99 94.35 12.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.556 0.694 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 54.3 Cg_endo -69.74 101.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.46 95.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.519 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 1.4 m-85 -81.59 -42.65 19.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 43.0 49.36 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 10.3 tp10 -110.65 166.09 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 31.5 ttp180 -121.88 132.91 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -123.02 167.45 13.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.9 p -136.25 147.38 47.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 88' ' ' THR . 20.8 m-85 -145.44 111.0 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.94 87.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.411 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 3.4 tt -134.4 131.37 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.3 Cg_endo -69.73 131.22 20.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 94' ' ' LEU . 71.1 t80 -34.63 -66.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -33.64 -48.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 99' ' ' ARG . 31.1 tt0 -62.17 -51.25 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -37.77 -51.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -51.99 -50.4 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -65.23 -43.81 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 95' ' ' GLU . 23.6 mmt85 -70.29 153.95 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 101' ' ' LEU . 54.2 m -123.42 142.15 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.469 ' N ' HG23 ' A' ' 100' ' ' THR . 6.1 tp -91.1 113.92 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 tt -130.01 121.18 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.5 144.22 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.2 m -123.54 119.16 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 58' ' ' VAL . 55.5 t -97.08 123.77 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 2.8 t -123.56 144.75 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.404 ' CG ' HD11 ' A' ' 117' ' ' ILE . 1.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.336 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.404 HD11 ' CG ' ' A' ' 107' ' ' ASP . 12.5 mm -75.91 -39.08 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.6 -178.42 43.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -139.31 145.56 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.29 104.1 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.51 151.27 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.05 127.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.635 0.731 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.71 11.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 mt -85.16 26.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.6 t -84.49 -52.24 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' VAL . 17.8 pt-20 -87.08 -45.29 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 128' ' ' ASP . 49.2 t -36.98 145.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 127' ' ' VAL . 1.1 m-20 -85.92 74.53 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.99 -47.96 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.6 t -41.96 -39.2 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 -74.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.46 175.62 40.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.586 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -138.73 61.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.412 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t-160 -84.26 104.42 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.586 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.4 p90 -153.18 179.6 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.9 m95 -124.31 131.51 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.429 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 15.2 mttm -128.55 164.72 22.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.22 139.44 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.05 149.97 40.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.3 pt -123.68 151.13 63.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 99.98 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.83 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 p -148.02 163.35 37.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -67.64 171.59 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.51 -163.75 12.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -135.98 125.49 25.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -154.59 118.44 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.2 -139.06 7.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -53.31 117.51 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -43.43 166.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -111.31 103.83 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -92.54 41.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.78 -47.57 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.86 -160.81 28.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.0 mtp -145.92 144.56 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -128.9 137.6 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.2 t-160 -94.18 134.65 36.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' C ' HD12 ' A' ' 33' ' ' ILE . 36.7 p90 -159.25 152.76 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.7 p -132.66 128.2 36.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.2 t -109.83 115.08 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.5 136.43 36.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 3.9 t80 -106.38 130.32 54.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -90.3 120.25 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 130' ' ' VAL . 3.8 mm? -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.02 -43.56 98.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.57 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 31.6 m170 -90.8 -15.43 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 60.26 45.33 11.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.57 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.7 p-80 -143.47 168.0 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 tp -93.58 117.78 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 m -100.94 98.65 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.73 103.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -92.07 124.08 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 m -79.77 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 17' ' ' PHE . 18.8 mt -110.01 163.32 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.17 -179.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.37 -179.15 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -163.71 170.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 64.81 43.62 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.53 135.46 19.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.75 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' CG ' HG23 ' A' ' 117' ' ' ILE . 53.7 Cg_endo -69.73 152.28 69.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 170.01 17.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 95.85 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.1 mm -130.75 148.91 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 t -98.71 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -89.38 -63.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -168.91 -179.3 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.14 121.34 2.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.463 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -50.72 -178.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.0 96.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.8 137.34 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.84 145.27 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 mtm 45.1 53.54 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.2 91.96 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -127.56 127.82 44.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -129.6 -176.21 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.457 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 3.5 p30 -107.1 84.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.41 27.75 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 0.0 112.391 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 108' ' ' PHE . 37.7 p90 -158.5 155.1 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.39 140.74 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -107.08 164.09 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.97 154.21 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.99 154.67 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -120.48 95.84 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 8.8 mp -58.86 161.81 8.04 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo -69.79 -10.35 11.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.358 -0.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.32 112.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -120.64 31.4 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -104.74 -64.65 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -75.87 82.81 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -99.56 141.62 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -102.46 171.88 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.53 136.18 11.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.1 p -79.03 159.94 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.13 172.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 69.7 t -101.61 118.26 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -83.89 168.14 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.4 mmt85 -83.22 164.98 19.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HE2' ' N ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -34.23 110.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -165.05 150.24 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -84.96 -39.11 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -101.92 99.8 13.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.94 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.54 127.4 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -41.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 55.74 46.07 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -104.23 152.68 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -107.23 150.75 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.68 160.7 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.565 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 5.1 p -130.13 155.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 88' ' ' THR . 50.1 m-85 -154.11 110.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.0 95.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 tt -141.39 132.32 13.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.71 126.84 13.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' PRO . 55.2 t80 -34.45 -61.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' PHE . 37.7 mt -34.13 -50.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.87 -48.7 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.02 -54.47 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -50.04 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -76.61 -34.21 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -72.16 165.82 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 101' ' ' LEU . 45.2 m -133.35 137.62 45.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.45 ' N ' HG21 ' A' ' 100' ' ' THR . 5.4 tp -85.91 111.24 20.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.436 HD13 ' CA ' ' A' ' 121' ' ' SER . 8.1 tp -118.44 131.12 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mp -119.43 128.64 54.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.4 m -113.28 134.16 54.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t -107.79 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.4 t -122.34 138.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 108' ' ' PHE . 23.3 t0 -79.69 152.02 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.526 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 31.2 t80 -121.9 121.02 36.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.451 ' N ' ' HB2' ' A' ' 112' ' ' SER . 27.6 t0 -175.15 163.77 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -40.11 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.42 38.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.451 ' HB2' ' N ' ' A' ' 109' ' ' ASP . 1.0 OUTLIER -91.93 78.57 5.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -60.56 173.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -77.73 57.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' VAL . 36.2 m -102.42 51.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' CYS . 1.6 p -35.82 136.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.457 HG23 ' CG ' ' A' ' 39' ' ' PRO . 81.9 mt -70.87 -43.62 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.408 ' CA ' HD22 ' A' ' 139' ' ' LEU . . . 178.4 169.51 39.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.451 ' HD3' ' CB ' ' A' ' 142' ' ' SER . 10.7 ptmt -127.74 166.26 18.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.3 t -144.1 107.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.436 ' CA ' HD13 ' A' ' 102' ' ' LEU . 80.3 p -103.9 144.98 30.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 8.7 p -153.31 121.55 3.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.11 18.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.69 18.44 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.08 -47.93 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.89 -51.88 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.4 t -53.11 150.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.07 99.01 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 21' ' ' TYR . 12.2 mt -64.16 -52.93 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 23' ' ' LEU . 15.4 m -43.97 -32.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -93.37 -22.91 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 99.14 159.08 29.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -130.68 153.32 20.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.493 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 9.0 t-160 -170.43 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.402 ' NE1' ' HE3' ' A' ' 137' ' ' LYS . 35.7 p90 -153.01 179.08 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 17.4 m95 -120.28 133.28 55.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 44.1 mttt -129.58 163.0 26.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 139' ' ' LEU . . . -108.64 111.13 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.408 HD22 ' CA ' ' A' ' 118' ' ' GLY . 4.9 mp -37.25 142.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.8 pt -117.5 152.73 49.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.164 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.451 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 38.9 t -52.97 159.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.89 -176.69 23.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.64 69.06 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.392 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -145.73 124.14 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.0 t -102.94 43.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -155.03 163.49 40.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -114.36 173.97 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.03 -154.88 25.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -92.36 101.69 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 p -47.59 147.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -64.16 -105.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 32.2 t -37.78 148.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.816 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -83.6 134.23 34.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.409 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.1 m-85 -38.87 -64.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 49.81 34.86 8.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -88.91 -42.31 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.53 -156.26 26.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.0 mtp -150.65 146.21 26.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 tp -124.4 141.73 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.1 t-160 -100.12 130.22 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -153.44 155.23 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.1 p -136.47 119.13 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -102.63 116.67 33.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' NE2' ' HA3' ' A' ' 132' ' ' GLY . 1.1 tp-100 -138.48 128.22 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -96.71 129.68 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.43 113.36 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.0 mm? -70.81 -39.61 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tt -52.25 -48.29 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 94.9 m-70 -98.42 -3.95 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 53.6 43.19 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -129.13 175.04 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -107.14 104.34 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 m -84.39 97.11 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -103.13 106.15 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -97.4 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.12 106.74 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.35 166.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.82 -178.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.71 177.56 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -162.23 170.78 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 68.54 31.97 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.39 138.94 21.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 143.97 52.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.83 20.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 95.05 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 45' ' ' ASP . 41.3 mt -135.14 139.91 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.5 m -93.77 88.3 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 42.21 54.89 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.449 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . 3.1 t70 -135.96 179.43 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.85 -110.87 1.02 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -128.09 39.91 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -83.11 40.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -149.77 160.31 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -140.78 158.82 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' ASP . 9.9 ptp 33.12 35.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -88.9 103.42 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -111.62 -179.11 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 t -168.59 176.85 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.5 p-10 -107.69 84.04 1.83 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.06 17.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -166.77 136.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 66.4 t -94.63 148.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -116.07 163.96 15.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.42 146.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 p -158.72 126.27 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -92.07 97.14 10.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 3.1 mm? -76.36 155.51 83.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.1 Cg_endo -69.75 -31.45 4.54 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.357 -0.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -35.53 128.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -127.35 34.67 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -106.92 -56.88 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -87.49 101.66 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 p -120.36 134.22 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.5 tppt? -110.2 146.87 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.6 pt20 -140.85 150.17 42.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.8 p -87.3 157.27 19.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.65 160.34 37.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.538 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 94.5 t -74.15 127.79 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 14.1 mmmt -91.95 164.9 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.6 mmt180 -80.3 161.26 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' ARG . 52.4 mtmt -35.91 114.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -174.13 146.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.26 -39.82 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -105.3 99.77 22.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 53.3 Cg_endo -69.8 122.97 9.63 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -124.53 88.22 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 81' ' ' PRO . 1.1 m-85 -81.43 -54.33 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 60.01 45.29 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -108.97 156.08 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -104.97 143.99 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -141.58 148.51 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.415 HG21 ' NE2' ' A' ' 27' ' ' HIS . 24.8 p -130.19 166.86 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -152.75 122.12 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.7 80.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.3 tt -132.16 132.07 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.37 21.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.418 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CE2' ' NE2' ' A' ' 97' ' ' GLN . 75.4 t80 -38.93 -61.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' ARG . 40.1 tt0 -73.92 -46.02 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.41 -42.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 93' ' ' PHE . 77.0 mt-30 -64.43 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.4 mtm180 -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -90.0 161.86 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.0 m -123.72 148.07 46.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.4 tp -94.59 103.78 15.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 102' ' ' LEU . 1.8 tm? -117.81 127.26 53.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.423 ' N ' HD11 ' A' ' 102' ' ' LEU . 2.4 mp -121.87 127.81 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 m -111.86 126.58 55.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 73.1 t -94.04 114.35 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.8 t -117.47 148.51 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.33 103.64 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.46 113.94 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -96.48 176.01 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.56 -44.18 14.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 112' ' ' SER . 49.1 m-85 -81.15 43.51 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' PHE . 23.2 t 34.55 54.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -97.06 128.63 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.408 ' H ' ' CD2' ' A' ' 114' ' ' HIS . 0.4 OUTLIER -109.53 88.45 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.2 m -129.62 86.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.91 140.93 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 70.7 mt -78.67 -40.21 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.85 -178.11 48.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -141.83 163.43 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 50.6 t -136.95 118.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.0 p -107.04 149.33 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.9 p -161.61 120.7 1.46 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 131.21 20.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 mt -95.75 18.06 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.75 -21.89 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.77 -36.84 6.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.471 HG12 ' CH2' ' A' ' 135' ' ' TRP . 80.5 t -62.06 137.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.446 ' N ' HG11 ' A' ' 127' ' ' VAL . 30.0 m-20 -76.63 83.89 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.46 -40.32 90.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.01 -45.1 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.47 -29.16 41.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.429 ' HA3' ' NE2' ' A' ' 20' ' ' GLN . . . 116.73 161.12 12.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.18 132.22 6.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 11.5 t-160 -157.65 107.15 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.471 ' CH2' HG12 ' A' ' 127' ' ' VAL . 39.0 p90 -152.17 179.33 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.552 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 22.1 m95 -122.45 130.97 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.408 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.0 mttt -126.07 171.83 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.06 128.57 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.42 145.21 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.65 152.09 46.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 90.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 t -57.81 120.87 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.17 -175.16 50.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -158.43 137.05 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.5 t -108.15 147.23 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -118.67 119.11 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -122.28 88.61 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.36 135.54 12.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 m -95.7 140.7 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -162.39 127.87 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.85 179.4 47.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -58.42 -23.49 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -150.28 170.68 18.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' CE1' HG21 ' A' ' 140' ' ' ILE . 1.0 OUTLIER -116.63 142.43 46.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -122.47 82.97 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 141' ' ' PRO . 74.4 mt -104.91 -48.18 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.46 -148.93 20.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.4 mtp -145.86 159.78 42.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.7 tp -134.52 130.03 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 6.2 t-160 -89.65 134.08 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -159.3 148.61 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -131.25 119.81 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 133' ' ' GLY . 6.3 t -108.4 120.55 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -143.46 119.67 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 30.5 t80 -81.49 147.75 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.5 m-20 -117.89 136.93 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 2.1 mm? -90.8 -28.82 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -45.73 -42.33 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.7 m-70 -121.93 -1.72 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.33 44.91 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -127.43 167.87 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.58 110.1 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.27 100.06 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -100.12 106.66 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -92.13 103.94 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.45 104.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 37.9 mt -83.58 165.17 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 10.5 pt-20 -66.21 -179.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.0 178.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -160.73 175.46 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.06 41.63 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -102.97 140.45 21.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.24 15.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.294 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.35 19.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.66 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 43' ' ' SER . 66.9 mt -145.93 163.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.449 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 10.1 m -70.84 -58.69 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -79.54 -177.27 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -49.03 -49.24 42.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.47 55.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' ARG . 12.3 t -60.67 164.27 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' SER . 51.3 mtp85 -36.08 120.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.28 144.62 40.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -128.2 99.22 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.17 42.17 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.14 126.22 47.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -148.91 -176.88 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -159.82 -175.28 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.425 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 8.9 m120 -107.49 81.94 1.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.34 56.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.401 ' CE1' ' HB2' ' A' ' 108' ' ' PHE . 22.7 p90 -150.01 151.03 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.6 t -105.88 148.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -115.37 162.56 16.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -133.26 154.36 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -168.8 147.3 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.59 91.95 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 56.9 mt -60.53 154.85 53.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo -69.82 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.341 -0.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -46.68 120.92 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -104.61 -1.86 25.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -57.22 -69.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -63.49 90.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -118.0 124.76 48.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HE3' ' CD1' ' A' ' 87' ' ' TYR . 8.1 tppt? -104.31 148.27 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.9 pt20 -133.65 140.34 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.455 ' OG1' ' CD1' ' A' ' 83' ' ' PHE . 54.5 p -66.77 -52.36 44.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.4 -177.29 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 74.4 t -98.3 108.61 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -81.45 167.25 19.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.1 mmm180 -82.18 158.47 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' ARG . 11.1 mptt -35.91 112.67 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -175.1 128.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -61.12 -38.95 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -103.39 94.93 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.7 Cg_endo -69.74 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.77 112.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CD1' ' OG1' ' A' ' 72' ' ' THR . 19.8 m-85 -101.59 -49.79 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.48 41.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -105.43 166.14 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -123.03 145.61 48.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.489 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 75.4 m-85 -143.43 162.78 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.558 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -128.13 162.54 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 88' ' ' THR . 51.4 m-85 -154.26 114.31 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.84 94.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 tt -147.27 133.47 9.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.79 131.45 21.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' LEU . 49.6 t80 -37.27 -60.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.8 mp -36.34 -59.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 98' ' ' ARG . 24.8 tt0 -58.99 -44.43 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -38.51 -45.16 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.06 -42.02 99.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLU . 54.6 mtt85 -68.62 -33.13 73.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -82.65 158.6 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 101' ' ' LEU . 24.0 m -122.28 144.94 48.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.464 ' N ' HG22 ' A' ' 100' ' ' THR . 17.7 tp -96.56 103.42 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 tt -117.78 128.03 54.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 mp -113.43 112.22 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.9 m -88.99 111.59 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -84.59 105.82 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.97 147.53 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -114.12 99.16 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.401 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 16.0 t80 -67.43 177.21 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -168.49 162.65 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.54 -34.06 41.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.5 38.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.4 p 43.74 33.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' HIS . 17.9 mmt180 -85.46 11.86 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.549 ' CD2' ' O ' ' A' ' 114' ' ' HIS . 0.2 OUTLIER -36.19 125.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 68.4 m -142.78 127.5 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.9 p -73.54 127.75 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.8 mm -80.12 -41.66 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 168.08 177.96 39.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.421 ' HE3' ' CD1' ' A' ' 140' ' ' ILE . 31.1 pttt -131.77 144.94 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.96 108.39 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.1 p -97.44 149.59 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 101' ' ' LEU . 2.3 p -155.87 121.74 2.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 133.82 26.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.0 mt -100.26 15.91 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.9 -1.11 49.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -122.84 -40.42 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.5 HG12 ' CZ3' ' A' ' 135' ' ' TRP . 26.0 t -67.07 131.33 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.28 73.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 130' ' ' VAL . 6.3 mt -49.42 -51.32 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 129' ' ' LEU . 86.8 t -37.97 -43.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -82.98 -66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 162.32 159.71 10.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -133.41 133.09 6.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.495 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 11.3 t-160 -158.58 106.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.5 ' CZ3' HG12 ' A' ' 127' ' ' VAL . 37.9 p90 -152.86 178.63 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.7 m95 -121.08 129.73 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -124.28 162.0 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.76 136.04 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.08 154.85 41.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.432 HG21 ' CE1' ' A' ' 10' ' ' TYR . 7.3 pt -131.45 151.79 79.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.411 ' N ' HD13 ' A' ' 12' ' ' LEU . 53.9 Cg_endo -69.77 110.12 2.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 t -64.85 174.9 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.8 -176.16 53.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 90.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.0 m -50.08 -72.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 95.7 p -78.63 157.82 28.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -112.85 116.59 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.917 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -126.59 138.69 53.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.49 135.52 16.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -109.11 159.16 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -117.77 45.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.93 50.84 2.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -156.07 131.2 9.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 5.3 tmtt? -129.43 141.8 50.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -75.85 124.03 26.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -106.94 32.56 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -50.05 -57.25 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.95 -158.11 28.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtp -143.61 147.35 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 tp -129.49 140.06 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.9 t-160 -100.09 134.46 42.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.525 ' CZ ' HG11 ' A' ' 120' ' ' VAL . 28.5 p90 -158.71 153.23 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -133.28 121.26 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.1 t -106.18 119.69 39.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -142.48 140.02 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -107.98 139.52 42.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -105.11 130.81 53.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.4 mm? -84.58 -39.15 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -48.65 -45.47 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 96.5 m-70 -100.93 -15.68 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 63.62 47.93 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.8 p-80 -139.44 165.83 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.93 113.87 26.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -94.82 99.81 11.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.5 t -101.02 108.67 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -96.37 102.91 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.9 m -64.78 120.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.425 HD12 ' CA ' ' A' ' 17' ' ' PHE . 9.2 mt -101.87 169.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.88 178.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.77 -179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -165.43 169.66 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t0 69.42 41.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -98.76 125.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.22 64.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.89 23.14 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mm -117.3 142.4 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -139.03 109.9 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 42.25 42.93 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.5 177.58 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.69 -46.8 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -88.76 97.04 10.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -134.06 176.01 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' CB ' ' HB2' ' A' ' 52' ' ' ALA . 26.2 mt-30 -51.61 133.12 30.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.7 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 mtm -87.25 42.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -92.44 123.76 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.557 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 12.4 t-80 -168.93 143.76 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 m -94.76 -69.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 3.7 p-10 -174.91 105.78 0.26 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' HD3' ' CE1' ' A' ' 53' ' ' HIS . 53.8 Cg_endo -69.77 136.71 33.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.468 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 13.8 p90 -150.86 134.99 16.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.16 149.35 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' C ' HG13 ' A' ' 60' ' ' ILE . 40.1 mtpt -114.82 160.61 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.41 HG13 ' C ' ' A' ' 59' ' ' LYS . 6.5 mt -137.84 135.04 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -153.63 133.33 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.78 97.23 9.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 77.2 mt -66.07 154.38 89.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo -69.69 -34.55 3.01 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.297 -0.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.51 125.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LYS . 36.3 mt-30 -116.48 -29.54 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' GLN . 22.8 ttpt -37.22 -71.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -61.26 108.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -122.58 121.35 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 11.8 tppt? -115.17 145.7 42.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 5.8 pt20 -128.57 167.53 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.6 p -85.39 -29.37 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.73 -148.24 18.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 HG13 ' ND2' ' A' ' 55' ' ' ASN . 72.5 t -132.39 137.2 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 39.1 mmtm -127.46 169.22 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 40.7 mmt180 -86.95 163.6 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 26.9 mtmt -35.34 110.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 t -159.55 121.79 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.4 -17.97 64.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -127.0 88.33 54.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.28 14.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.56 129.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -128.47 -30.39 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 41.18 54.41 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 39.2 tp10 -106.8 156.18 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.464 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 20.4 ttm180 -113.16 132.2 55.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -126.64 152.57 46.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.467 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.2 p -119.25 151.92 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 88' ' ' THR . 30.2 m-85 -143.94 126.32 15.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.81 94.97 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -148.01 133.74 9.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.597 0.713 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.77 129.76 18.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' PRO . 69.4 t80 -36.45 -56.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -39.61 -58.15 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.23 -45.53 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.14 -44.69 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.18 -44.38 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -70.46 -46.07 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -54.08 164.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 101' ' ' LEU . 92.9 m -135.8 138.76 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' A' ' 17' ' ' PHE . 16.5 tp -80.95 113.3 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -122.99 115.71 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.51 103.85 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.7 m -91.42 129.76 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.37 105.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 1.8 t -118.14 143.72 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -112.36 110.58 20.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -75.55 115.29 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.25 179.31 7.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HD2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -82.22 -14.48 55.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.491 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 98.1 m-85 -96.63 28.59 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t 51.45 45.3 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -114.79 127.47 55.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 7.9 p80 -102.7 84.11 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 54.1 t -82.63 108.74 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.7 t -77.57 118.87 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.42 -43.12 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.25 -176.47 48.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -151.75 163.04 40.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 68.9 t -133.97 112.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.413 ' CB ' HD22 ' A' ' 102' ' ' LEU . 3.8 p -103.77 143.78 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.89 125.71 3.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.5 17.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' A' ' 129' ' ' LEU . 96.6 mt -84.38 15.0 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.9 t -98.07 -10.19 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -101.89 -47.3 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 128' ' ' ASP . 7.5 p -75.65 137.07 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.419 ' N ' HG23 ' A' ' 127' ' ' VAL . 4.7 m-20 -79.07 82.57 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 130' ' ' VAL . 8.9 mt -44.15 -51.8 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 129' ' ' LEU . 88.8 t -36.07 -55.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -70.58 -59.13 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.94 156.55 6.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -125.99 135.92 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.53 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.492 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 9.8 t-160 -164.16 105.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.534 ' CD1' ' HE2' ' A' ' 137' ' ' LYS . 34.1 p90 -152.92 179.2 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 19.8 m95 -117.96 136.23 53.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.534 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 11.9 mttm -135.27 164.23 28.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.43 133.27 46.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.01 148.5 43.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.9 pt -123.06 150.8 60.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 111.154 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 100.58 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 166.23 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 150.1 143.25 3.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -43.74 2.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 m -73.59 117.01 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 52.7 p -127.44 131.41 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -149.09 128.06 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 110.834 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -121.73 123.56 42.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.53 -79.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 48.95 42.56 20.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -96.42 158.62 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.47 74.01 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 t -50.21 -54.96 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 4.5 tmtm? -142.2 143.01 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -96.17 68.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -61.41 79.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' TYR . 54.2 mt -103.36 -48.27 4.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.85 -147.21 18.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.0 mtp -154.32 154.25 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tp -131.5 135.73 47.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.648 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 6.2 t-160 -94.22 129.14 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -158.68 170.68 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.04 142.67 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.17 116.39 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -135.29 116.83 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -90.44 125.12 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.39 133.82 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.71 -33.93 18.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -49.69 72.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.4 m-70 -97.55 -10.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m120 58.02 47.49 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -130.99 169.21 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.9 tp -101.0 107.4 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -91.66 100.97 13.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.65 109.62 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -95.37 128.25 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -91.59 106.18 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 34' ' ' GLU . 56.8 mt -87.42 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' N ' HG22 ' A' ' 33' ' ' ILE . 18.1 pt-20 -58.57 177.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.31 -179.23 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -163.03 176.42 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 64.54 34.73 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -97.57 136.75 21.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 123.29 9.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.91 26.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 91.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -130.03 155.63 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.2 t -79.57 -177.89 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -43.24 -43.69 4.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.54 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.73 103.98 2.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 t -116.12 -64.44 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -131.5 158.51 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -112.86 43.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -68.82 122.76 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.2 mtm 51.69 48.56 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.596 ' C ' ' CD2' ' A' ' 53' ' ' HIS . . . -126.07 112.76 16.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.596 ' CD2' ' C ' ' A' ' 52' ' ' ALA . 2.2 m-70 -151.69 170.31 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -165.03 178.48 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -114.88 82.8 8.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.23 8.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -171.28 153.68 3.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.3 157.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.171 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -122.88 155.7 36.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mt -130.75 139.41 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 p -157.6 144.06 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 mt -103.98 92.68 4.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 19.8 mt -71.97 155.7 91.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.9 Cg_endo -69.76 -36.81 2.2 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -38.74 96.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' PRO . 7.4 mm100 -97.69 18.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -81.34 -62.32 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -89.65 110.48 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -136.85 136.67 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.8 tppt? -107.45 146.46 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 2.0 mp0 -125.59 171.52 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.4 p -119.53 139.76 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.46 161.62 1.66 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 m -86.94 129.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' A' ' 83' ' ' PHE . 15.9 mmtm -79.31 163.88 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 38.0 mmt180 -76.85 165.23 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ARG . 3.4 pttp -34.09 114.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -172.28 161.5 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -95.44 -18.4 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -131.9 100.46 15.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.69 121.52 8.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 34' ' ' GLU . 1.5 p -125.11 105.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -102.15 -30.31 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' PHE . 31.7 mt-10 37.86 51.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -112.79 145.25 40.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -98.33 143.09 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -134.69 147.65 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -119.12 159.58 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 88' ' ' THR . 40.4 m-85 -148.08 123.71 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.2 tt -144.83 132.27 10.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 111.17 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.84 128.11 15.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' LEU . 50.6 t80 -36.66 -62.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' PHE . 7.3 mp -35.21 -40.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -79.33 -45.56 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -43.05 -43.78 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -55.89 -37.65 69.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -75.26 -30.17 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -76.14 163.75 26.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.2 m -128.61 135.18 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.12 113.54 20.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -122.15 127.05 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.88 115.25 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 105' ' ' VAL . 90.3 m -104.31 136.74 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.46 ' N ' HG21 ' A' ' 104' ' ' THR . 69.3 t -108.73 110.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.51 150.55 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.59 139.72 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -108.95 109.72 20.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -86.16 -175.46 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -83.53 -25.44 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.38 30.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.0 m 50.03 32.28 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -80.27 169.46 17.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -142.48 118.93 10.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 59.1 m -133.71 105.52 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.6 p -69.65 99.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.9 mm -52.61 -41.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 171.06 -166.96 40.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.07 159.35 36.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.48 117.79 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -108.46 145.32 34.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.7 p -153.56 130.31 5.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.28 20.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 7.1 mt -96.85 23.2 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 47.5 t -86.44 -54.15 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.65 -38.44 23.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 49.5 t -46.74 136.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -79.99 62.82 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 27.3 mt -40.49 -44.36 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.9 t -43.72 -59.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -73.92 -57.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.43 172.49 19.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.605 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -136.07 60.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.48 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 11.6 t-160 -83.85 103.82 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.5 p90 -152.2 179.4 8.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.648 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 12.2 m95 -122.53 129.49 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.455 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 25.6 mttt -125.74 171.75 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.32 133.79 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.3 mp -66.21 143.01 57.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.9 pt -118.04 155.51 51.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.186 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 112.1 3.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.3 p -69.22 141.15 54.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 167.82 174.05 36.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.6 45.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.8 m 39.89 50.48 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 74.0 m -148.32 112.13 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -158.28 167.73 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -92.55 145.47 24.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.23 79.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 p -72.5 135.76 45.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -113.67 -62.35 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.41 -89.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 p -153.62 160.87 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -80.53 178.06 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -119.38 113.71 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -102.32 42.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.78 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.75 -151.56 14.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.9 mtp -157.35 142.28 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.55 130.81 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.0 t-160 -91.39 132.64 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.43 158.26 35.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -137.73 138.41 39.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -120.59 113.61 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.98 120.94 19.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 4.0 t80 -92.68 136.66 33.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -107.14 120.27 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 4.2 mp -76.79 -34.27 57.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -43.9 -42.16 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.1 m170 -116.87 10.3 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 45.8 47.53 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -132.99 163.68 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -99.31 116.71 32.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 m -96.94 103.01 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.14 110.68 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -103.53 104.28 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.85 131.74 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 38.3 mt -109.52 164.88 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 12.6 pt-20 -57.66 177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.09 179.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -164.94 173.57 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.17 40.35 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -96.3 128.19 37.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.468 ' CG ' HG23 ' A' ' 117' ' ' ILE . 54.0 Cg_endo -69.77 146.38 59.98 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.94 61.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 54.0 Cg_endo -69.67 97.37 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 mt -140.17 153.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -83.56 -62.34 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -79.9 -179.09 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -69.8 -49.65 50.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.09 135.49 10.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.7 m -156.08 167.32 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -93.27 92.53 7.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -135.01 111.59 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.81 -60.69 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.77 80.3 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' O ' ' CG ' ' A' ' 53' ' ' HIS . . . -111.34 96.47 6.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 89.4 m-70 -164.39 140.38 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -115.77 -66.87 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -174.11 105.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.72 166.96 25.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.458 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 4.8 p90 -172.91 135.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -99.4 152.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -115.8 157.44 24.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -133.11 133.08 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.38 147.06 27.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.94 92.62 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 67.0 mt -64.01 153.04 86.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo -69.8 -25.09 8.24 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.333 -0.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.23 120.1 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' LYS . 18.1 mt-30 -112.81 -47.06 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLN . 6.3 ptmt -35.0 -49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -82.21 87.71 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -113.29 165.72 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -139.39 165.72 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.92 149.09 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.562 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 26.6 p -88.08 161.62 17.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.09 176.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 87.8 t -114.45 110.97 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -94.18 169.35 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.459 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 2.3 mpt_? -76.1 163.26 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.7 pttm -34.43 120.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -168.89 138.26 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -81.87 -33.33 30.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -114.31 77.87 4.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.22 34.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 p -130.2 111.46 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 1.2 m-85 -93.01 -43.19 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 46.78 39.83 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -102.34 178.6 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -128.74 145.31 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.95 149.88 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 9.3 p -124.08 152.18 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 88' ' ' THR . 28.1 m-85 -146.88 120.12 8.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 83.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 96' ' ' ALA . 2.3 tt -140.74 132.13 13.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.1 Cg_endo -69.77 131.69 21.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 86.7 t80 -36.19 -60.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.72 -41.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -74.19 -52.05 13.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.401 ' N ' HD11 ' A' ' 91' ' ' ILE . . . -52.3 -15.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 52.2 mt-30 -79.99 -49.96 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.28 -24.98 60.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.418 ' CZ ' ' HD2' ' A' ' 64' ' ' PRO . 2.7 mmp_? -72.91 164.0 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.2 m -125.1 144.76 50.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.8 tp -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' ' 102' ' ' LEU . 1.3 tm? -130.72 118.42 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.17 149.28 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -132.41 120.21 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.5 t -94.53 108.35 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 47.9 t -119.77 145.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -106.11 93.53 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.441 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 7.9 t80 -43.8 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 113' ' ' ARG . 0.3 OUTLIER -148.61 176.13 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' HD3' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -108.59 -16.24 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 110' ' ' LYS . 93.8 m-85 -102.78 50.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' PHE . 40.6 m 34.18 45.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.2 mmp_? -99.13 179.84 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.46 151.62 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 37.7 t -171.42 112.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.8 t -102.38 102.34 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.468 HG23 ' CG ' ' A' ' 39' ' ' PRO . 98.1 mt -56.8 -52.5 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.13 -169.18 38.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -147.14 177.69 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.1 t -147.66 116.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.405 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 54.5 p -106.33 150.23 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.63 120.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.33 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 85.0 mt -57.31 -20.36 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.8 p -60.27 -29.04 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.35 -10.55 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 128' ' ' ASP . 59.5 t -83.07 154.14 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.417 ' N ' HG11 ' A' ' 127' ' ' VAL . 4.4 m-20 -93.85 72.58 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 18.7 mt -55.48 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.02 -57.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -68.46 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.79 135.84 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.09 127.45 8.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.484 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 19.4 t-160 -154.08 106.42 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.415 ' CD1' ' HG3' ' A' ' 137' ' ' LYS . 45.6 p90 -152.7 179.55 8.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.0 m95 -117.94 125.55 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 18.1 mttt -123.16 159.31 28.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.05 128.01 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.28 137.35 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.5 pt -105.42 151.9 39.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.0 t -46.68 167.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 117.58 173.96 16.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 95.2 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -50.92 94.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.2 p -79.97 126.85 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -158.43 153.01 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -161.19 153.06 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.68 125.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -140.99 121.45 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -125.91 123.48 38.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 152.39 6.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 p -114.55 39.22 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -157.78 150.41 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.457 ' CE1' ' HE2' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -86.34 -58.6 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 56.54 37.57 28.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.82 -24.01 60.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.6 -164.48 25.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -141.82 153.15 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -136.19 138.02 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 13.2 t-160 -97.99 134.87 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -157.46 159.31 37.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.9 p -139.3 129.73 25.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.2 t -114.41 121.83 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -143.9 131.43 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 20.0 t80 -98.75 144.59 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.3 t0 -108.69 128.38 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.42 -26.73 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.01 -47.88 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 35.8 m-70 -108.67 5.33 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 10.0 p30 45.86 52.57 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CD2' HG22 ' A' ' 88' ' ' THR . 1.8 p-80 -132.87 161.99 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.83 109.11 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.3 m -94.53 114.99 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -114.46 102.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -84.23 108.17 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -72.27 117.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 16' ' ' HIS . 14.8 mt -98.77 168.13 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.18 179.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.35 -179.02 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -163.02 177.48 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.55 49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -105.85 131.48 21.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 123.82 10.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.7 26.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 89.69 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 mt -117.09 139.96 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 21.72 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -160.29 168.94 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.28 89.76 6.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' SER . . . 133.07 -96.01 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 46' ' ' GLY . 50.4 p -34.71 131.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 17.9 ttp-105 -114.84 134.26 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -66.71 150.85 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.98 -51.97 5.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 51' ' ' MET . 6.5 ptp -96.6 82.25 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.13 122.73 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -91.08 -178.25 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.415 ' C ' ' HD3' ' A' ' 56' ' ' PRO . 5.1 t -159.24 110.5 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -108.21 70.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.8 154.16 67.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 17.9 p90 -144.2 147.35 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 83' ' ' PHE . 92.4 t -98.54 131.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -105.57 157.76 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.75 136.22 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.12 134.38 11.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.44 93.11 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.6 mm? -69.28 154.78 94.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo -69.76 -24.54 8.51 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.359 -0.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -47.04 133.0 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -125.51 -9.14 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -60.74 -68.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -75.28 85.78 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 p -117.23 124.69 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 8.6 tppt? -106.9 145.77 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 2.3 mp0 -125.96 172.81 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -103.69 171.13 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.15 162.15 54.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.08 125.38 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 9.6 mptt -93.23 162.97 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' LYS . 13.9 mmt85 -87.87 165.5 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.8 tttt -30.85 111.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.2 t -175.01 133.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.97 -43.42 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.4 mtpt -103.37 94.75 6.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 54.0 Cg_endo -69.77 140.89 43.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.4 t -133.8 106.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 58' ' ' VAL . 2.7 m-85 -98.93 -58.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 56.2 47.34 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.31 160.21 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -116.28 143.61 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -142.72 160.52 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -130.19 162.34 29.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 88' ' ' THR . 37.2 m-85 -149.7 112.08 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.59 94.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.45 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 0.6 OUTLIER -150.38 138.61 12.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD2' ' CG1' ' A' ' 91' ' ' ILE . 53.8 Cg_endo -69.77 140.74 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -49.38 -46.57 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 mt -48.96 -38.46 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -78.95 -41.79 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.73 -40.3 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -63.93 -45.47 89.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -69.06 -14.45 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -98.58 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 101' ' ' LEU . 62.7 m -128.05 143.21 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.453 ' N ' HG21 ' A' ' 100' ' ' THR . 9.1 tp -89.78 102.58 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 121' ' ' SER . 2.0 tt -116.24 121.78 43.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.33 124.09 51.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.8 m -107.94 116.54 32.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.2 t -91.6 103.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.6 t -109.39 154.06 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -123.07 122.41 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -85.83 54.03 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.95 -67.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.436 ' HE2' ' C ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -50.11 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 110' ' ' LYS . 3.1 m-85 45.76 25.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m 54.17 44.75 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -101.2 -176.84 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -78.75 50.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.46 70.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.9 p -68.45 127.14 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.5 mm -76.4 -43.24 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.16 178.06 48.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -135.06 145.68 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 41.8 t -132.75 102.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 54.7 p -102.67 147.88 26.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -148.38 121.97 4.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.15 4.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.72 -0.23 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.87 -18.71 65.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -118.66 -21.06 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.31 144.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 65.32 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.2 mt -45.03 -54.17 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.6 t -42.48 -58.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -68.05 -71.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.76 152.11 6.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -120.05 136.0 11.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.496 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 7.8 t-160 -161.2 105.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 40.5 p90 -153.13 179.39 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 6.4 m95 -122.58 132.64 54.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -129.93 165.77 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.43 129.35 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.44 143.27 56.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.4 pt -125.54 150.8 69.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 111.16 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 120.47 7.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.323 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -73.16 164.68 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -122.0 -157.22 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.438 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.8 t -102.77 92.34 4.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.0 p -61.17 -25.36 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -160.65 139.17 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 p -172.11 164.92 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.6 106.41 1.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -130.32 41.78 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -63.31 157.4 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 45.25 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -149.11 161.87 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -74.93 174.52 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' CE2' HG22 ' A' ' 140' ' ' ILE . 1.9 p90 -110.73 107.05 16.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -88.97 39.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.43 -50.19 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.63 28.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.9 mtp -133.9 154.48 51.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.8 tp -130.23 139.3 50.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.9 t-160 -99.07 132.34 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -159.3 146.99 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -130.66 125.38 33.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -107.75 124.12 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -142.87 117.7 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.57 129.14 36.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 137.93 36.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.56 -54.8 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -38.79 -38.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 98.6 m-70 -98.15 -29.76 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 71.99 41.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -135.94 175.86 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -104.45 111.2 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -92.99 99.96 12.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.36 108.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.46 106.59 18.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.73 108.34 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.8 mt -88.15 166.01 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.08 173.33 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -143.57 -179.86 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -161.73 -179.92 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.7 31.2 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.5 mt -100.45 139.1 20.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.17 22.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.88 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 43' ' ' SER . 79.8 mt -145.06 140.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.449 ' N ' HG21 ' A' ' 42' ' ' ILE . 3.3 m -129.75 -60.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.786 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 10.4 p80 -101.66 -47.03 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 1.6 m-20 -40.99 -37.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . 34.86 57.41 0.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -172.13 160.91 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -53.28 91.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -75.68 119.34 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -76.98 147.78 36.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.3 mmt 50.91 43.46 28.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.8 106.2 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.493 ' ND1' ' ND2' ' A' ' 55' ' ' ASN . 3.8 p80 -87.74 137.52 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.46 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 18.1 m -87.63 -48.11 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.493 ' ND2' ' ND1' ' A' ' 53' ' ' HIS . 10.7 p30 36.52 51.68 1.87 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 54.1 Cg_endo -69.75 -172.73 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -172.42 158.17 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' CE2' ' A' ' 83' ' ' PHE . 75.3 t -112.69 150.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -118.41 157.41 27.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.96 136.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -156.31 134.81 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.39 121.03 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 3.9 mm? -102.36 156.01 35.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.9 Cg_endo -69.76 -49.45 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.377 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.48 102.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -110.88 64.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -74.77 -67.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -77.88 84.17 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.5 p -95.07 141.72 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -121.15 161.94 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -147.64 172.13 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 p -105.13 164.78 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.26 54.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.0 t -88.94 132.62 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -103.09 165.05 11.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' CD ' ' N ' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -76.21 165.39 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -33.19 124.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -175.11 156.51 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -95.9 -26.09 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -114.39 106.64 52.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.79 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.2 119.03 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 15.5 m-85 -112.61 -64.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 55.82 41.48 30.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.39 153.51 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -110.42 133.28 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -127.02 152.5 47.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.65 147.8 50.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -139.38 117.59 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.98 84.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -138.16 131.51 16.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.03 46.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 94' ' ' LEU . 57.9 t80 -42.48 -63.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 93' ' ' PHE . 58.6 mt -34.6 -59.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -61.58 -44.84 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.84 -50.18 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.18 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -78.42 155.05 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.6 m -118.43 124.39 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.7 104.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 121' ' ' SER . 1.0 OUTLIER -110.95 129.66 55.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -133.88 107.24 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.7 m -95.21 123.89 38.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.0 t -95.38 106.61 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -110.94 132.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -94.41 106.44 18.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.42 145.26 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.27 141.42 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 2.2 pptp? -94.48 30.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -120.89 44.4 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p 40.9 42.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -147.76 162.81 38.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 17.5 p80 -129.4 107.23 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 28.8 m -94.57 96.23 9.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.24 114.21 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.27 -42.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.12 -161.56 34.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -162.19 169.8 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.4 t -137.7 149.61 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.422 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 37.4 p -138.19 116.9 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 137' ' ' LYS . 73.9 t -132.01 125.07 19.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 126.37 13.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.0 mt -93.95 29.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.9 t -102.16 -46.98 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.89 -50.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.553 HG22 ' CH2' ' A' ' 135' ' ' TRP . 7.8 p -60.37 155.3 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG23 ' A' ' 127' ' ' VAL . 15.5 m-20 -89.5 112.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.9 mt -85.52 -48.34 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.4 t -42.59 -46.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -59.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 152.82 160.93 9.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.21 127.23 4.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 8.1 t-160 -148.96 110.15 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.553 ' CH2' HG22 ' A' ' 127' ' ' VAL . 31.8 p90 -152.85 178.68 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.572 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 18.3 m95 -124.27 131.91 53.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.472 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 19.9 mttm -129.33 172.75 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.02 130.89 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.74 143.23 56.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.531 HG22 ' CE2' ' A' ' 10' ' ' TYR . 8.0 pt -114.92 151.57 45.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.655 0.741 . . . . 0.0 111.149 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 111.2 2.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.8 t -67.63 -50.75 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.02 144.71 18.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 126.96 13.97 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.1 m -62.4 -57.49 11.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.8 m 57.74 42.31 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -113.91 136.26 53.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -106.28 85.5 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.16 136.62 6.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -86.84 150.62 24.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -96.4 85.26 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.36 -138.98 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -52.4 108.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 10.6 tppt? -40.56 142.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' CD2' ' HD3' ' A' ' 9' ' ' LYS . 1.3 m-85 -43.25 120.53 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -83.55 43.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.58 -30.6 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.61 -159.84 14.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mtp -141.83 155.2 45.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -131.03 135.48 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 8.1 t-160 -97.88 134.43 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 4.1 p90 -159.1 152.3 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 p -129.56 129.11 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 133' ' ' GLY . 6.4 t -112.33 114.58 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -139.24 121.18 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 22' ' ' ASP . 12.3 t80 -91.34 146.17 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.0 t70 -112.75 117.11 31.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 23' ' ' LEU . 9.0 mp -71.88 -45.83 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.93 -52.09 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 80.8 m-70 -89.54 -10.48 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 55.26 50.33 15.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -139.36 170.7 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -105.41 107.22 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -84.79 99.96 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -106.75 104.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.16 106.76 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' CG2' HD12 ' A' ' 60' ' ' ILE . 85.9 t -70.62 102.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 34' ' ' GLU . 46.9 mt -76.89 165.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 82' ' ' VAL . 11.9 pt-20 -64.57 173.02 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 175.66 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -162.33 179.72 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 62.75 36.24 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -96.75 138.33 21.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.705 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 142.32 47.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.372 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.32 27.93 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 84.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -148.53 131.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.0 p -80.42 -59.98 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -123.7 169.84 11.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.4 t70 64.34 34.38 10.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.06 95.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 1.6 t -141.0 143.31 34.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.36 123.48 23.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -144.8 131.39 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.24 -42.61 52.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.76 76.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.77 119.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -161.04 144.44 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -147.28 -176.6 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.64 81.08 17.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 146.94 61.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.52 ' CZ ' HG13 ' A' ' 106' ' ' VAL . 44.9 p90 -148.36 142.42 25.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.0 t -92.86 129.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -99.94 153.31 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.415 HD12 ' CG2' ' A' ' 32' ' ' VAL . 5.9 mt -130.49 154.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.53 156.02 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.2 mt -117.89 101.75 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.0 mt -72.21 156.92 90.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.1 Cg_endo -69.79 -29.68 5.58 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.305 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -46.1 91.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.3 pt20 -97.87 28.9 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -94.03 -62.67 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.34 100.42 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.2 p -126.11 140.82 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' NZ ' ' CE1' ' A' ' 89' ' ' PHE . 9.7 mttp -119.04 172.96 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -148.9 144.46 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.451 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 25.7 p -75.66 155.66 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -38.95 153.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.89 137.24 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 19.1 mmtm -84.4 169.5 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' LYS . 9.9 mmt85 -136.18 118.49 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.0 mttm 33.25 54.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 75' ' ' LYS . 2.6 t -136.76 133.32 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.63 -19.98 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -113.11 97.92 44.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.529 0.681 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.78 96.38 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.465 ' HA ' ' CB ' ' A' ' 34' ' ' GLU . 93.3 t -103.44 81.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 8.1 m-85 -72.75 -61.18 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 61.52 34.13 18.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -106.15 155.04 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -109.1 142.25 40.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.75 155.61 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.5 145.35 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' ' NZ ' ' A' ' 70' ' ' LYS . 81.2 m-85 -136.5 126.17 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.15 86.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 99' ' ' ARG . 1.6 tt -142.0 131.23 12.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.73 131.68 21.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' PRO . 71.8 t80 -35.2 -51.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 mp -38.61 -53.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.9 tp10 -66.36 -51.44 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.33 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -48.99 -53.38 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.2 -21.85 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.422 ' HG3' ' CD1' ' A' ' 91' ' ' ILE . 20.4 mmt85 -78.29 146.22 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 93.3 m -119.34 147.39 44.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 tp -96.02 109.38 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.5 tp -117.22 117.56 29.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.57 152.79 25.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.457 ' CG2' HG21 ' A' ' 116' ' ' VAL . 22.5 m -134.83 147.73 50.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 t -124.6 121.41 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.52 HG13 ' CZ ' ' A' ' 57' ' ' TYR . 5.4 p -137.05 137.47 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.465 ' N ' HG21 ' A' ' 106' ' ' VAL . 1.8 m-20 -87.78 91.86 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -40.74 110.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.28 132.45 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -76.06 49.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 112' ' ' SER . 25.1 m-85 -122.41 38.18 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 111' ' ' PHE . 60.5 m 35.93 44.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.809 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -160.56 163.74 32.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -119.5 118.39 30.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.85 63.17 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.457 HG21 ' CG2' ' A' ' 104' ' ' THR . 7.4 p -46.55 131.92 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.84 -47.26 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 -170.16 38.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -153.34 165.61 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 44.2 t -139.5 130.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.0 p -115.53 148.26 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.2 p -161.63 117.56 1.32 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.07 15.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.3 mt -91.71 26.48 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.02 -38.59 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -84.7 -51.87 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.557 HG23 ' CH2' ' A' ' 135' ' ' TRP . 14.8 p -59.74 155.37 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.63 112.18 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 130' ' ' VAL . 19.7 mt -82.23 -52.75 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 129' ' ' LEU . 90.7 t -37.8 -54.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -68.08 -54.19 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 140.36 154.89 6.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -126.24 137.38 10.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.499 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 10.6 t-160 -161.17 105.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.557 ' CH2' HG23 ' A' ' 127' ' ' VAL . 35.5 p90 -152.81 177.81 10.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 12.2 m95 -119.05 132.84 56.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.406 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 34.7 mttt -128.35 161.48 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.73 126.15 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -54.27 152.88 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.1 pt -125.45 150.53 68.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 93.6 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t -54.58 155.58 4.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -107.85 143.6 16.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.6 p -87.02 2.2 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -107.39 112.35 25.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t 47.19 51.33 13.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -73.13 -16.38 61.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.72 171.92 48.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -163.61 136.25 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -160.36 134.5 7.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.02 47.7 3.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -133.63 161.77 33.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.954 0.407 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 18.8 tptp -122.76 160.86 25.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.19 133.54 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -115.43 78.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 mt -110.87 14.71 22.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 -169.07 35.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.6 mtp -133.82 166.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -143.08 137.68 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 3.3 t-160 -100.15 132.74 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -158.08 169.26 24.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 133' ' ' GLY . 2.1 p -152.05 123.6 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 133' ' ' GLY . 9.0 t -107.7 125.1 50.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 155.3 44.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -119.25 134.43 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.74 115.16 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 26' ' ' ASN . 95.6 mt -70.71 -58.72 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LEU . 13.6 tp -37.4 -32.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 87.0 m-70 -104.95 -24.11 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' LEU . 10.3 m-80 67.91 40.41 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.637 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 2.1 p-80 -136.08 160.69 37.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -92.47 111.53 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.6 m -94.81 100.17 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 t -95.49 105.72 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' NH1' ' C ' ' A' ' 84' ' ' GLU . 8.4 tpp180 -84.47 126.05 32.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 60' ' ' ILE . 21.3 t -101.04 113.11 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 50.1 mt -98.08 164.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 4.8 pt-20 -61.4 -178.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.91 -179.92 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -162.53 168.67 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.06 27.88 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.0 mt -82.75 129.25 62.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.26 68.07 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.73 60.92 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.8 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 43' ' ' SER . 23.4 mm -144.91 155.7 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 m -114.6 -41.14 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 -177.27 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.816 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -39.62 -67.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.55 118.61 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.6 m -96.03 85.73 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 55.71 42.12 29.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -120.09 57.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -50.38 -30.65 12.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.9 ptp -167.48 122.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' HIS . . . -89.06 20.59 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 m80 31.3 54.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -78.85 178.99 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 2.0 p-10 -108.72 82.12 1.65 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.87 15.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 13.2 p90 -165.01 151.43 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.1 t -99.1 153.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -125.87 156.96 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.464 HD11 ' CG2' ' A' ' 32' ' ' VAL . 4.0 mt -134.55 158.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.5 t -174.82 151.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 mt -115.4 97.4 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 82.6 mt -65.75 154.02 89.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.4 Cg_endo -69.72 -30.28 5.21 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.58 109.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 67' ' ' LYS . 49.3 mt-30 -106.22 -41.1 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.4 ttpm? -35.95 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -70.17 103.27 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.3 p -129.04 144.04 51.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 14.1 tppt? -101.74 151.9 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.486 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -145.4 159.97 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.438 ' OG1' ' CE1' ' A' ' 83' ' ' PHE . 58.3 p -113.76 136.12 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.06 151.33 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.2 m -81.06 137.79 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 3.7 mptt -84.89 165.21 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' LYS . 31.4 mmt180 -76.22 165.64 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 2.4 ptpp? -32.57 111.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -170.99 162.59 7.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -94.69 -26.7 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 14.6 pttp -123.95 100.9 36.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 53.9 Cg_endo -69.76 118.7 5.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -100.82 105.43 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' O ' ' CD ' ' A' ' 85' ' ' GLU . 40.0 m-85 -91.12 -62.63 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' C ' ' NH1' ' A' ' 31' ' ' ARG . 22.5 mt-10 54.22 39.38 30.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 83' ' ' PHE . 8.1 mp0 -115.26 148.22 39.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -107.32 147.06 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.414 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 98.9 m-85 -134.86 156.43 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.6 p -128.53 159.83 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 88' ' ' THR . 44.7 m-85 -148.49 124.49 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -71.68 80.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -141.59 134.1 13.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 146.71 61.13 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 96' ' ' ALA . 14.9 t80 -50.68 -63.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' PHE . 66.5 mt -34.52 -43.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -73.26 -43.95 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -47.68 -45.64 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.47 -44.65 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.21 -21.31 63.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -92.1 152.37 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.9 m -116.52 147.13 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.3 tp -90.65 116.08 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.84 109.52 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mp -105.34 133.77 49.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.7 m -125.91 134.96 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.2 t -108.1 107.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 2.8 t -111.82 147.19 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.88 135.68 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.438 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.3 t80 -112.42 115.78 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.54 177.99 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -37.76 -45.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.4 m-85 -79.75 46.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -45.05 94.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' PHE . 70.3 mtt-85 -133.87 -176.2 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -104.01 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' VAL . 54.4 m -85.57 39.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' CYS . 1.6 m -37.8 129.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.71 -42.92 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.18 -174.06 46.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -145.77 156.26 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 37.5 t -136.93 114.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 p -99.87 148.98 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.4 p -161.56 120.78 1.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 mt -85.07 22.76 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.47 -9.88 21.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.19 -37.23 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.481 HG21 ' CZ3' ' A' ' 135' ' ' TRP . 12.6 p -80.49 117.99 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.07 82.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.26 -45.52 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.6 t -37.69 -57.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -70.41 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.33 6.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -120.03 137.78 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.414 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 14.1 t-160 -163.02 105.64 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.481 ' CZ3' HG21 ' A' ' 127' ' ' VAL . 38.0 p90 -152.92 179.43 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.3 m95 -117.35 133.16 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -131.06 163.18 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.29 121.46 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.37 154.22 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.436 HG21 ' CZ ' ' A' ' 10' ' ' TYR . 4.5 pt -128.18 153.93 78.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.49 2.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -68.88 156.28 38.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -94.61 -155.11 31.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.43 10.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 90.8 p -109.82 123.86 50.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 66.4 m -109.16 87.74 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -123.27 159.38 28.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -135.71 164.21 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.76 -132.66 2.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -62.6 -39.76 94.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 m 46.36 50.11 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 -158.66 12.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -92.27 -61.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -162.7 149.37 12.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 153.82 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -116.77 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 141' ' ' PRO . 78.2 mt -132.43 -44.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -153.51 22.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.4 mtp -146.16 148.17 32.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tp -128.58 131.15 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -87.18 128.1 35.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -156.25 156.58 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.565 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 10.2 p -142.76 146.24 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -121.58 128.83 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -143.34 117.5 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -89.1 123.49 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.21 116.24 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.2 -42.76 62.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.35 -51.41 54.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 99.2 m-70 -93.1 -3.75 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 49.74 53.29 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -137.88 179.28 6.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 tp -111.89 109.86 19.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.46 102.99 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -107.39 105.41 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -99.07 120.92 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG13 ' CD1' ' A' ' 83' ' ' PHE . 92.1 t -82.25 107.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 134' ' ' HIS . 17.8 mt -83.69 167.6 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' H ' ' CG2' ' A' ' 33' ' ' ILE . 13.9 pt-20 -59.15 -178.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -157.8 177.27 11.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -166.5 173.04 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.68 37.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.9 mt -99.68 136.67 20.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.89 66.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.98 17.64 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' C ' HG13 ' A' ' 42' ' ' ILE . 53.8 Cg_endo -69.76 99.17 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 43' ' ' SER . 97.7 mt -151.83 140.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' N ' HG21 ' A' ' 42' ' ' ILE . 8.6 t -65.8 -48.74 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -145.69 143.49 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -38.87 110.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.55 -118.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.5 t -104.17 150.73 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -79.97 95.1 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -72.16 -178.6 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.71 167.85 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 38.19 43.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 99.51 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.498 ' CG ' ' HB2' ' A' ' 77' ' ' LYS . 3.0 p-80 -127.17 172.5 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.8 p -163.37 -176.42 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.46 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.4 m120 -110.96 80.27 2.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -166.96 146.38 5.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 83' ' ' PHE . 58.6 t -101.61 145.0 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -112.86 158.6 19.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -131.41 141.87 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.5 p -157.97 135.21 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.8 mt -104.1 104.82 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 4.1 mm? -68.6 157.37 88.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo -69.74 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.341 -0.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.21 108.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 67' ' ' LYS . 55.4 mt-30 -103.78 -54.44 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' GLN . 31.8 mtmt -35.73 -54.65 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.54 93.39 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.1 p -125.54 141.24 52.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -102.57 171.68 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -147.03 149.41 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.8 p -96.86 159.49 14.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.68 164.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 87.3 t -90.42 149.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.05 169.4 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.9 mmt180 -124.93 105.12 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.498 ' HB2' ' CG ' ' A' ' 53' ' ' HIS . 5.3 ptpt 31.28 55.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 75' ' ' LYS . 1.9 t -129.83 112.43 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.17 -31.83 67.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -105.68 92.77 6.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.9 5.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.29 88.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.575 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.1 m-85 -77.3 -39.24 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 42.48 35.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 8.5 tp10 -105.02 158.5 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 35.3 ptt180 -119.05 152.83 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -139.48 157.91 45.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 8.9 p -125.09 151.36 45.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 88' ' ' THR . 34.7 m-85 -146.75 113.96 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.94 85.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 96' ' ' ALA . 3.6 tt -137.92 129.9 16.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.74 133.52 25.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 37.4 t80 -34.61 -59.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -35.91 -47.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -70.43 -53.33 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.448 ' N ' HD12 ' A' ' 91' ' ' ILE . . . -39.14 -53.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' NE2' ' CD2' ' A' ' 93' ' ' PHE . 48.6 mt-30 -49.89 -42.61 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -70.62 -36.91 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -63.37 157.98 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.1 m -127.61 114.26 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.32 97.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -111.48 110.19 20.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.7 mp -103.92 144.01 32.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 m -130.86 109.12 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.3 t -88.28 109.27 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 107' ' ' ASP . 42.9 t -113.65 141.07 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.457 ' N ' HG13 ' A' ' 106' ' ' VAL . 9.0 m-20 -103.23 113.43 26.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -84.93 103.34 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.4 168.38 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.51 163.0 28.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 73.23 51.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.8 m 38.91 33.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -92.35 142.14 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -135.71 125.95 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 38.5 m -134.03 132.43 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.67 125.19 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 mm -82.01 -34.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.81 -178.49 35.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -147.78 156.53 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 121' ' ' SER . 98.1 t -128.64 141.33 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.43 ' N ' HG12 ' A' ' 120' ' ' VAL . 92.3 p -127.61 120.16 27.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 137' ' ' LYS . 48.4 t -137.33 123.46 13.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.76 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.08 29.95 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.14 -51.17 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -82.33 -42.1 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.4 t -47.29 148.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -90.43 82.92 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 130' ' ' VAL . 12.0 mt -60.28 -47.64 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' LEU . 92.6 t -34.03 -51.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -87.97 -72.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.28 177.02 44.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.526 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -144.87 66.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 3.1 m80 -86.81 110.64 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.526 ' CZ3' ' HA3' ' A' ' 133' ' ' GLY . 10.5 p90 -153.13 179.72 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.6 m95 -128.22 120.8 27.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.465 ' HD2' ' CG2' ' A' ' 122' ' ' VAL . 20.8 mttm -120.32 159.18 25.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -93.66 150.18 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.4 mp -86.56 144.07 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.7 pt -115.08 152.4 46.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.46 ' N ' HD12 ' A' ' 12' ' ' LEU . 53.8 Cg_endo -69.76 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t -68.46 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -81.74 147.47 26.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 94.0 p -107.12 140.69 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 97.0 p -46.74 162.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -62.48 162.27 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -103.63 -47.88 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.14 -167.46 25.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -165.86 136.03 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -156.27 120.03 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.46 -81.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -45.52 162.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.932 0.396 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -68.21 142.76 55.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' LYS . 8.1 m-85 -36.89 -55.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 60.89 41.12 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.22 -37.09 11.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.18 -162.0 28.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 mtp -149.58 136.73 19.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.6 tp -119.91 143.17 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.3 t-160 -101.45 132.25 47.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -158.94 162.96 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.0 p -147.06 133.87 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -114.55 119.83 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -138.02 117.8 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -88.08 128.65 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.46 128.48 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.57 -23.13 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -50.86 55.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 41.6 m80 -89.73 -18.92 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 69.09 47.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -142.16 172.71 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.413 ' CG2' ' HG3' ' A' ' 86' ' ' ARG . 2.1 m -113.28 111.71 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.8 102.87 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -88.97 107.65 19.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.2 t -72.38 117.04 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 51.3 mt -96.78 164.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 13.0 pt-20 -61.62 174.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -142.29 -179.6 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -163.99 170.48 16.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.09 53.34 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 mt -109.25 140.19 21.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.48 19.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.76 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 86.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 81.2 mt -115.26 138.35 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 t -97.83 158.67 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -38.91 137.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 62.03 46.88 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.59 103.92 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 m -100.74 -47.24 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -90.19 165.61 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -174.26 156.87 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' MET . 15.4 p-10 -126.83 84.13 2.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' ASP . 17.4 mmt 36.06 54.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.23 123.89 26.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -115.84 -179.21 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.8 t -163.67 -177.87 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -107.49 80.63 0.94 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 163.25 39.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 1.7 p90 -166.36 133.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 59' ' ' LYS . 57.8 t -94.66 158.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' N ' HG11 ' A' ' 58' ' ' VAL . 20.0 mtpp -126.4 160.89 29.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -134.82 134.28 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 t -152.58 144.62 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -104.34 95.2 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.5 mt -61.52 154.35 65.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.0 Cg_endo -69.72 -34.01 3.2 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.342 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' PRO . 8.4 m-20 -35.03 100.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -95.98 -3.1 45.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -76.42 -69.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.91 85.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -109.25 162.88 13.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -140.16 167.94 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.459 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -149.96 135.71 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.466 ' OG1' ' CE2' ' A' ' 83' ' ' PHE . 53.3 p -61.08 -69.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.77 136.01 1.92 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 55' ' ' ASN . 10.9 p -72.45 117.69 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.2 169.46 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' LYS . 23.6 mmt85 -75.82 165.59 24.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.8 mtmm -31.85 116.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 t -166.3 147.92 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -89.23 -34.47 16.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -110.69 92.54 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 107.22 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.39 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.98 127.71 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' CE2' ' OG1' ' A' ' 72' ' ' THR . 0.3 OUTLIER -117.25 -42.0 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 48.5 45.22 21.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -104.1 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HG3' ' CG2' ' A' ' 29' ' ' THR . 25.7 ttp180 -127.29 129.81 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -119.83 151.01 39.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -132.09 129.2 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.81 86.95 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 tt -146.29 132.92 9.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.192 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.78 130.46 19.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 17.2 t80 -34.74 -59.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -35.06 -55.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.2 -45.19 92.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.18 -40.88 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -55.93 -45.29 78.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -80.1 -8.9 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -91.49 146.89 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 23.7 m -113.48 139.63 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.8 tp -88.66 103.32 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.404 HD22 ' CB ' ' A' ' 121' ' ' SER . 1.1 tm? -104.32 123.92 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.25 109.04 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.4 m -91.27 144.95 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.3 t -119.96 103.34 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 t -104.97 159.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.39 94.24 4.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -84.74 132.19 34.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -120.61 -175.9 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -78.67 -12.09 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -88.88 20.57 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m 49.8 28.8 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -102.4 144.17 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -141.03 108.46 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 116' ' ' VAL . 11.7 t -118.14 82.67 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 115' ' ' CYS . 14.4 p -36.42 122.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mt -78.75 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -171.23 -165.54 28.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -158.11 164.63 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 54.0 t -135.78 111.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.404 ' CB ' HD22 ' A' ' 102' ' ' LEU . 4.7 p -108.66 141.09 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.3 p -154.21 124.39 3.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 127.13 14.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.6 mt -84.86 21.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.55 -54.53 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.91 -46.54 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.502 HG23 ' CH2' ' A' ' 135' ' ' TRP . 69.1 t -46.38 151.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -95.69 80.07 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 130' ' ' VAL . 23.6 mt -51.75 -55.21 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 129' ' ' LEU . 14.6 t -35.33 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -86.03 -66.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.96 172.63 27.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.595 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -135.87 60.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.442 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 10.0 t-160 -83.68 102.76 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.3 p90 -152.41 178.66 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.3 m95 -123.27 129.5 51.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.45 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 33.6 mttt -125.26 165.22 18.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -105.12 132.43 51.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.54 137.12 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.0 pt -108.73 152.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.19 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.7 t -73.64 137.73 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -121.83 -160.05 10.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -0.89 7.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.279 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.3 p -52.56 102.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 80.5 p -86.38 -176.94 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -158.22 157.13 32.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -126.16 156.73 39.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.19 173.0 25.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -141.33 173.01 11.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -105.08 117.67 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.81 43.22 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -159.58 170.64 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 163.3 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' GLN . 14.6 p90 -89.29 -47.42 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.9 tp60 33.69 40.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.1 mt -52.94 -56.01 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.96 -165.42 36.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mtp -140.15 157.62 45.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 tp -142.62 129.38 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 5.0 t-160 -89.19 130.46 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -155.01 164.96 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 p -145.3 129.05 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -111.5 115.32 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -139.74 133.23 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -99.66 135.47 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.38 113.35 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.89 -41.44 78.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.32 -40.49 64.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 36.0 m80 -100.52 -2.37 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p30 46.79 44.44 14.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.4 p-80 -138.03 170.18 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -99.2 119.97 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -97.15 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.01 102.66 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -99.96 123.62 44.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.72 109.17 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 34' ' ' GLU . 29.3 mt -86.6 166.91 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' N ' HG23 ' A' ' 33' ' ' ILE . 6.9 pt-20 -59.24 161.87 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.46 -179.83 5.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -166.1 175.9 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 63.85 35.86 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' CD1' ' HD2' ' A' ' 81' ' ' PRO . 90.3 mt -99.65 131.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.0 22.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.51 18.68 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.409 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 79.95 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 43' ' ' SER . 19.2 mm -149.03 144.03 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' HG21 ' A' ' 42' ' ' ILE . 90.6 p -77.93 159.13 29.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' SER . 9.4 t-80 -36.01 -40.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -117.96 121.36 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.48 -175.3 22.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -121.21 177.8 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -41.32 124.06 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.418 ' CD ' HG13 ' A' ' 42' ' ' ILE . 32.2 mt-30 -87.74 116.09 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -117.1 -60.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.3 mmt -107.69 78.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.24 153.46 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -169.24 162.95 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 p -164.88 160.4 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 12.7 m-20 -114.75 84.05 9.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.81 48.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 40.2 p90 -144.8 146.33 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.8 t -99.59 140.6 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -109.12 150.82 27.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.81 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.8 p -165.54 168.59 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 143.76 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 58.3 mt -120.29 155.33 56.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo -69.7 -46.99 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.383 -0.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 99' ' ' ARG . 20.5 p-10 -63.7 123.33 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' LYS . 9.7 mt-30 -107.62 29.63 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 24.3 tptt -37.46 -70.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -82.78 118.71 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -116.63 122.55 44.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 2.0 tpmt? -111.72 147.27 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -151.21 156.42 40.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.2 p -103.81 130.15 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.22 154.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 m -75.08 128.21 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 34.8 mmtt -81.35 167.07 19.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' LYS . 17.6 mmm-85 -77.4 165.58 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -31.6 120.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -174.16 153.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.88 -29.04 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 108.36 10.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.455 ' HD2' ' CD1' ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 135.81 31.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -134.7 93.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -90.36 -45.5 8.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 49.8 42.4 23.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.88 160.53 14.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 87' ' ' TYR . 20.2 ttm180 -110.06 151.84 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 76.4 m-85 -142.32 162.02 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.43 HG21 ' CD2' ' A' ' 27' ' ' HIS . 2.5 p -139.22 145.47 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -134.62 127.67 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.62 81.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 tt -140.03 132.1 14.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.84 130.87 19.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 73.7 t80 -37.2 -57.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -36.33 -55.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.13 -50.26 55.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -39.32 -48.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.535 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 39.1 mt-30 -55.17 -42.66 73.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.63 -5.68 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 65' ' ' ASP . 21.3 mmm-85 -101.37 155.7 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.1 m -119.43 133.47 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 tp -81.08 98.53 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.9 tp -103.17 128.0 50.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mp -121.47 150.93 40.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 m -141.29 131.38 24.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.52 102.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.0 t -102.45 158.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.8 139.09 39.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.6 133.09 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.73 -179.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.78 132.05 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 47.19 39.76 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.9 t -81.65 72.28 8.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -44.22 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -162.29 119.64 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 34.7 t -131.22 81.11 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.23 79.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 52.0 mt -44.78 -41.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.46 -177.89 48.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -151.44 164.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.2 t -145.22 109.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -106.5 133.91 50.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.68 123.26 13.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 37.4 mt -95.29 19.22 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 24.4 p -103.2 -5.57 23.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -116.83 -22.12 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.0 p -103.47 140.43 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.6 115.23 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 132' ' ' GLY . 11.6 mt -73.6 -55.88 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.5 m -41.46 -37.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -73.75 -33.35 64.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 106.06 134.07 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.44 138.95 14.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.488 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 5.2 t-160 -163.85 105.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.462 ' CD1' ' HE2' ' A' ' 137' ' ' LYS . 41.4 p90 -153.22 173.3 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.582 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 10.6 m95 -110.4 138.93 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.462 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 16.2 mttm -135.2 162.8 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.12 124.7 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.87 133.98 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.1 pt -106.42 151.21 40.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 109.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -71.21 136.75 48.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.33 153.36 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 142.55 48.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.1 m -126.44 168.35 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.8 m -112.54 96.28 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -142.58 168.36 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -138.88 167.91 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.74 136.74 5.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 p -82.89 127.94 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -117.92 89.03 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.7 -154.14 6.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -98.52 -55.37 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 10.3 tppt? -172.02 158.43 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 25.1 p90 -90.18 102.62 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -95.94 44.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.87 -57.08 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.83 -158.34 28.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtp -142.89 148.07 36.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.72 136.06 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -96.26 132.4 41.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -156.91 154.95 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 p -135.1 126.54 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 133' ' ' GLY . 6.1 t -108.95 119.09 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -137.77 129.44 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 19.4 t80 -102.15 133.25 47.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 6.8 t0 -91.03 132.72 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.84 -28.37 20.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -46.7 81.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -95.65 -13.0 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 60.7 48.77 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.9 p-80 -136.24 177.17 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -105.78 116.87 32.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 m -100.26 98.45 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.56 106.45 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -97.33 106.35 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.4 t -73.08 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 48.0 mt -116.26 165.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.456 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 9.3 pt-20 -58.46 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.26 -179.41 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 4.1 ptp180 -161.88 167.1 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.22 36.87 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' CD1' ' CD ' ' A' ' 81' ' ' PRO . 90.7 mt -100.79 132.43 22.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 141.29 44.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 53.5 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 85.63 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 40' ' ' PRO . 29.5 mt -135.82 162.39 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.5 m -97.65 163.97 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -46.29 -31.9 2.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.07 -64.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.44 132.43 7.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -171.92 -175.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -87.77 146.35 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' OE1' ' CB ' ' A' ' 40' ' ' PRO . 4.3 pt20 -117.33 56.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.47 -45.04 95.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ptm -122.53 64.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.15 115.32 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 77' ' ' LYS . 2.2 p-80 -80.37 167.28 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -135.27 104.49 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -114.35 66.01 1.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.469 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 46.9 p90 -171.88 133.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.19 134.77 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -103.88 163.95 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.4 mt -136.97 137.4 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.89 136.24 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 52.0 mt -88.32 96.28 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.8 mm? -71.9 156.44 90.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo -69.74 -42.95 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.328 -0.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 4.7 p-10 -35.06 118.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 27.8 mp0 -103.42 -1.32 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.95 -69.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -64.26 93.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.9 p -109.66 127.7 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -128.51 168.35 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.96 161.52 41.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.479 ' OG1' ' CE2' ' A' ' 83' ' ' PHE . 44.3 p -96.58 -0.74 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.57 173.09 44.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -104.42 130.0 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -95.45 164.08 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.6 mpt_? -76.63 165.85 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ARG . 16.8 ttpt -30.26 116.48 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -171.62 145.48 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 79' ' ' GLN . 12.6 mm100 -87.22 -16.13 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' O ' ' CD ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -125.76 106.66 26.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CD ' ' CD1' ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.79 107.31 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.04 118.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.479 ' CE2' ' OG1' ' A' ' 72' ' ' THR . 0.1 OUTLIER -115.7 -44.93 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.51 51.88 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -107.39 172.79 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -130.73 128.44 40.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.61 155.79 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 p -125.86 149.28 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.6 m-85 -141.21 130.33 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -79.21 90.54 4.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.53 132.29 8.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 131.9 22.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' CD1' ' NE2' ' A' ' 97' ' ' GLN . 59.6 t80 -35.96 -55.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PHE . 25.1 mt -36.62 -54.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.461 ' CG ' ' NH1' ' A' ' 99' ' ' ARG . 27.0 tt0 -64.14 -44.86 90.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.17 -46.96 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' NE2' ' CD1' ' A' ' 93' ' ' PHE . 43.0 mt-30 -59.7 -33.52 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 95' ' ' GLU . 37.0 mtp180 -78.44 -32.83 48.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.461 ' NH1' ' CG ' ' A' ' 95' ' ' GLU . 46.6 mmt-85 -80.69 169.39 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.2 m -128.83 151.53 49.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.7 tp -99.44 101.79 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 121' ' ' SER . 13.9 tp -111.2 139.04 46.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mp -131.92 102.67 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.9 m -89.5 126.61 35.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.6 t -94.87 102.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.469 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 6.2 t -114.82 141.81 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -131.34 126.14 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -68.05 95.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 -68.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HD2' ' CE2' ' A' ' 111' ' ' PHE . 3.4 tppp? -67.38 112.33 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.531 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 16.7 m-85 40.14 31.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 81.6 p 41.28 46.64 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -106.22 -75.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.86 125.56 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' VAL . 3.5 m -133.92 39.71 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 115' ' ' CYS . 2.9 p -35.2 116.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.0 mt -78.49 -39.94 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.66 -178.82 45.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -145.23 140.3 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 40.8 t -121.45 117.72 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.44 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 29.1 p -107.52 152.26 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.3 p -158.84 121.46 1.98 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.11 12.96 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.74 2.293 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.7 mt -84.77 21.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.3 m -85.0 -51.72 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -74.84 -51.2 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.546 HG22 ' CH2' ' A' ' 135' ' ' TRP . 75.0 t -53.81 145.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.75 81.38 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.9 mt -45.38 -51.4 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 31.1 m -51.01 -35.72 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -88.08 -10.0 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.54 160.52 34.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -137.87 140.26 11.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.498 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 10.1 t-160 -164.92 108.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.546 ' CH2' HG22 ' A' ' 127' ' ' VAL . 39.1 p90 -153.11 178.2 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 14.3 m95 -120.26 129.17 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.423 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 12.3 mttm -125.05 173.2 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.93 137.33 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.84 153.88 43.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' A' ' 10' ' ' TYR . 8.3 pt -132.42 153.34 81.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t -66.77 -52.65 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 148.09 153.76 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -60.59 135.79 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 51.0 p -72.8 -50.1 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -121.17 104.03 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.822 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -102.5 113.54 26.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.06 -102.16 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m 52.54 45.35 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -88.22 114.37 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.5 -131.26 2.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -61.41 165.09 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.801 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 2.9 tppp? -152.22 158.54 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.467 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.1 m-85 -52.7 -178.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -125.52 69.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.07 -29.74 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.13 -160.75 22.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.8 mtp -141.71 156.89 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 tp -135.89 133.23 37.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.618 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 9.6 t-160 -89.26 125.79 35.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -157.67 154.02 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 3.2 p -141.05 141.91 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.449 ' CG2' HG13 ' A' ' 127' ' ' VAL . 8.9 t -117.21 110.37 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -127.8 154.01 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -122.31 126.84 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.66 109.15 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.8 mm? -69.36 -33.27 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.06 -45.19 89.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.39 -11.75 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -139.49 167.74 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -94.14 126.05 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -112.65 105.58 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -106.03 103.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -90.24 109.26 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -73.08 111.62 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 41.3 mt -91.13 165.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 7.2 pt-20 -60.38 -174.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.56 -179.25 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NE ' ' CH2' ' A' ' 136' ' ' TRP . 21.5 ptt180 -163.83 175.39 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.42 35.7 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.97 123.17 61.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.78 67.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.03 58.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 87.4 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.2 mm -109.16 132.53 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' HIS . 3.0 m -79.57 177.21 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.471 ' CE1' ' OD1' ' A' ' 45' ' ' ASP . 39.7 p-80 -37.08 -42.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.471 ' OD1' ' CE1' ' A' ' 44' ' ' HIS . 33.4 p-10 -123.56 118.54 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.47 123.46 1.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -82.09 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt85 -170.01 135.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -106.89 152.24 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 17.0 p-10 -103.74 -38.84 6.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 ptm -133.17 73.19 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.58 117.15 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.468 ' HB3' ' CD ' ' A' ' 77' ' ' LYS . 1.9 p-80 -117.33 176.24 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 p -173.51 166.72 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 84.0 m-20 -108.03 84.25 2.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.48 40.48 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.361 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.746 ' CE1' ' CE2' ' A' ' 108' ' ' PHE . 29.0 p90 -148.6 142.8 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.56 141.88 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -116.04 155.66 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -129.14 135.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.32 139.59 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.9 mt -99.41 144.0 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.516 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 64.5 mt -121.75 155.06 60.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo -69.73 -40.48 1.09 Allowed 'Cis proline' 0 C--O 1.231 0.135 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 -0.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.1 105.75 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LYS . 8.7 pt20 -110.57 12.45 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -37.49 -66.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -85.16 118.04 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -122.17 143.76 49.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -111.96 175.08 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.416 ' NE2' ' N ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -165.1 156.4 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -90.95 145.53 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.65 157.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 39.5 t -72.66 124.83 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -89.96 163.24 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.2 mmt180 -95.79 165.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.468 ' CD ' ' HB3' ' A' ' 53' ' ' HIS . 24.1 ttpt -33.85 107.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -167.94 150.83 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -89.17 -43.11 11.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -104.57 92.65 5.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.77 127.5 14.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.19 106.59 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.9 m-85 -100.71 -51.55 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 49.56 48.34 21.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -108.52 148.8 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.01 138.7 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -127.6 161.05 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.576 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.2 p -133.61 148.13 51.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.2 m-85 -142.1 115.38 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -66.57 93.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -146.29 133.04 9.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.9 Cg_endo -69.77 124.89 11.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' LEU . 17.5 t80 -34.49 -61.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' PHE . 77.8 mt -34.28 -45.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -76.08 -50.89 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.36 -30.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -67.44 -44.43 78.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -81.59 12.9 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -103.71 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.8 m -139.27 137.94 36.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.0 tp -91.02 115.88 28.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 121' ' ' SER . 1.4 tm? -122.87 120.78 34.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 mp -120.24 125.17 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -108.54 147.93 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.1 t -124.02 111.8 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.55 159.28 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -129.44 134.5 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE2' ' CE1' ' A' ' 57' ' ' TYR . 17.3 m-85 -93.62 102.95 15.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.9 -54.63 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -167.82 155.91 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 112' ' ' SER . 44.3 m-85 55.23 27.83 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PHE . 54.8 p 35.89 36.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -51.85 172.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -125.47 58.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 t -100.07 87.78 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.46 138.86 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.8 mt -79.75 -30.95 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.01 173.19 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -144.26 152.24 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 79.4 t -128.7 119.22 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.458 ' CB ' HD22 ' A' ' 102' ' ' LEU . 3.9 p -113.93 133.3 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.21 125.76 8.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 138.58 38.11 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 mt -102.32 18.65 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.6 t -74.96 -26.7 59.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.47 -36.81 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.449 HG13 ' CG2' ' A' ' 19' ' ' THR . 23.3 t -37.89 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.75 99.2 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 79.2 mt -84.56 -42.67 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.98 -24.89 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -105.99 -11.73 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.59 164.7 33.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.438 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -139.28 76.69 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 4.0 m80 -94.11 113.24 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.313 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.438 ' CZ3' ' HA3' ' A' ' 133' ' ' GLY . 12.3 p90 -153.56 179.21 9.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.618 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.2 m95 -130.6 117.69 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -112.72 164.22 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.35 128.39 48.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.88 137.21 58.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.9 pt -110.49 150.1 41.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -59.27 141.83 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.68 143.81 20.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 118.43 5.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.2 m -74.08 -50.9 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 68.2 p -65.71 -49.11 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -109.43 94.69 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -174.98 145.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -159.38 -99.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.9 p 35.71 42.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -79.46 149.14 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.4 -115.82 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 t -115.19 -54.52 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 8.2 tppt? -171.59 157.48 4.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.8 m-85 -55.81 -53.23 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 57.52 34.59 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 141' ' ' PRO . 42.3 mt -94.61 -33.36 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.83 -148.35 17.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 48.6 mtp -153.15 136.16 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.3 136.63 49.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.5 t-160 -97.44 132.72 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' HD23 ' A' ' 101' ' ' LEU . 33.5 p90 -158.17 158.09 33.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -141.39 129.72 22.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.433 ' CG2' HG13 ' A' ' 127' ' ' VAL . 8.8 t -110.99 117.27 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -138.79 124.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.0 t80 -98.6 128.69 45.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.5 m-20 -95.65 126.28 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.01 -31.51 30.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -43.11 57.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -116.44 15.18 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 40.3 49.54 2.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.7 p-80 -131.61 163.29 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.29 115.28 29.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -94.34 96.9 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -101.78 103.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -92.03 102.14 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.82 103.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 17' ' ' PHE . 28.2 mt -78.04 166.74 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 12.1 pt-20 -69.52 -175.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.59 177.04 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -166.48 163.55 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 70.71 47.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.0 mt -98.56 149.5 35.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.89 18.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 170.23 16.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 91.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 43' ' ' SER . 27.0 mm -139.33 139.17 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' HG22 ' A' ' 42' ' ' ILE . 7.3 t -109.93 -68.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -163.4 116.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 49.18 38.54 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.52 129.55 3.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.2 m -59.88 -56.42 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -170.63 169.6 7.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.83 154.91 42.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -85.91 -65.18 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.415 ' HB2' ' ND1' ' A' ' 53' ' ' HIS . 6.7 ptm -118.65 -12.92 9.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.86 38.4 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.415 ' ND1' ' HB2' ' A' ' 51' ' ' MET . 25.2 m170 -115.92 173.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 t -166.66 -175.02 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 9.1 p-10 -108.13 82.43 1.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.32 21.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.501 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 27.5 p90 -166.99 132.96 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 59' ' ' LYS . 97.1 t -99.86 142.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 58' ' ' VAL . 50.3 mtmt -113.8 164.09 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.0 mt -134.6 113.06 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.7 m -122.96 139.33 54.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 mt -107.78 91.73 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 79.8 mt -57.88 152.82 36.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo -69.73 -26.0 7.66 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.362 -0.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.76 117.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' LYS . 2.2 mm-40 -121.52 -44.48 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' GLN . 22.6 mtmm -34.05 -61.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -82.05 107.82 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.8 p -113.76 147.78 37.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.2 tppt? -105.91 148.97 27.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 8.9 tt0 -137.42 145.88 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.8 p -84.66 -58.82 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.87 -175.24 45.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 84.2 t -108.2 121.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 16.4 mmtp -80.63 168.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 21.2 mmt85 -118.97 109.68 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.9 mttp 35.39 55.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -115.23 137.14 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.58 107.94 17.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.55 0.69 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.8 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.405 ' N ' ' HZ1' ' A' ' 75' ' ' LYS . 87.2 t -101.35 72.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 74.7 m-85 -69.44 -50.89 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 51.4 41.69 28.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -108.62 147.95 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.25 150.66 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.87 150.43 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.0 p -124.16 157.37 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -148.54 112.78 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.59 82.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 tt -136.39 132.2 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' LEU . 54.3 t80 -39.02 -60.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -34.8 -47.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.47 -45.17 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.14 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -56.59 -41.09 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -70.99 -43.82 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.8 169.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 101' ' ' LEU . 89.8 m -138.46 139.27 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.455 ' N ' HG22 ' A' ' 100' ' ' THR . 17.8 tp -81.74 113.07 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.4 OUTLIER -124.27 111.99 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mp -108.17 128.08 54.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.2 m -117.64 130.47 56.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.12 102.41 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.501 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 16.9 t -110.95 135.44 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.06 109.52 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -89.4 90.48 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -74.85 -74.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -175.08 -175.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 60.27 34.67 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.7 p 47.7 35.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -128.47 112.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -116.26 121.22 41.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.29 128.04 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.54 90.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.1 mm -40.08 -55.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.77 -173.83 42.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.63 159.94 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 72.3 t -140.72 133.6 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 p -118.3 150.58 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.9 p -165.08 121.71 1.06 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 116.77 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.382 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.04 -26.93 67.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 126' ' ' GLU . 12.8 p -47.66 -44.73 27.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 127' ' ' VAL . 19.1 pt-20 -85.87 -45.56 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 126' ' ' GLU . 79.3 t -45.6 156.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.422 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.5 m-20 -97.7 88.73 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 21' ' ' TYR . 22.0 mt -69.48 -51.03 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.01 -54.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.68 -45.88 60.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 126.95 150.97 7.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.45 125.79 5.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.445 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 8.8 t-160 -151.31 107.56 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.822 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.451 ' NE1' ' HE3' ' A' ' 137' ' ' LYS . 45.0 p90 -153.09 179.2 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.9 m95 -121.71 114.66 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.451 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 22.4 mttt -109.02 168.86 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -111.28 119.36 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.4 mp -48.74 164.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.1 pt -137.1 152.23 73.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.453 ' N ' HD11 ' A' ' 12' ' ' LEU . 54.3 Cg_endo -69.73 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t -61.91 155.07 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.74 170.49 46.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 114.14 3.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 m -70.43 97.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.9 t -88.87 128.51 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -112.19 152.6 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -98.59 -46.79 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.29 -114.79 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 58.64 40.82 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.81 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -100.83 86.01 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.98 -121.81 0.75 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -68.76 161.13 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -110.87 118.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.443 ' CG ' ' HD3' ' A' ' 141' ' ' PRO . 13.0 p90 -47.89 102.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.95 52.7 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 mt -68.03 -42.38 80.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.36 -158.23 23.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 63.4 mtp -140.13 146.62 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 tp -123.86 139.86 53.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.4 t-160 -98.03 133.21 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.87 154.74 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -134.77 120.39 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -100.64 113.14 25.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -135.96 131.73 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 10.9 t80 -103.41 138.65 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.7 m-20 -107.17 132.5 52.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -86.52 -37.94 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.4 tm? -43.09 -42.85 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -113.31 -0.34 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.3 43.89 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -126.74 168.46 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 tp -97.78 113.92 25.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 m -92.2 98.26 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.4 t -108.76 105.48 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -95.74 116.16 28.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.35 112.24 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 34' ' ' GLU . 33.3 mt -90.73 164.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HB3' ' CG2' ' A' ' 82' ' ' VAL . 16.9 pt-20 -62.13 -177.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.73 -179.15 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -164.06 160.92 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 73.14 42.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.8 mt -100.72 135.9 19.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 159.11 54.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.404 ' C ' HG13 ' A' ' 42' ' ' ILE . 54.1 Cg_endo -69.8 81.17 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.284 . . . . 0.0 112.374 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 41' ' ' PRO . 30.3 mt -144.6 160.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 t -67.76 -68.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -78.46 -179.93 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.92 123.66 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.0 -176.75 18.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -89.16 155.28 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -39.24 115.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -98.37 149.81 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.18 -29.57 12.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.6 mtm -87.94 46.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -171.92 107.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -112.36 172.8 6.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.4 p -172.55 160.4 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -106.9 84.63 1.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.41 63.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 48.6 p90 -154.33 152.89 30.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.8 144.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HG13 ' A' ' 60' ' ' ILE . 5.3 mtmp? -111.05 162.22 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 59' ' ' LYS . 5.1 mt -138.18 113.07 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.1 m -125.99 136.87 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.5 mt -105.05 91.64 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 33.2 mt -62.87 155.01 73.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.552 0.692 . . . . 0.0 110.947 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo -69.75 -33.13 3.53 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.404 -0.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' PRO . 5.5 m-20 -34.14 116.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' LYS . 33.6 mt-30 -111.7 -46.33 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -34.11 -69.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -70.35 108.59 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.4 p -121.12 137.88 54.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 87' ' ' TYR . 10.9 tptp -104.41 146.82 28.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.482 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.0 pt20 -143.41 142.11 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -81.31 -178.07 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.36 -156.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.85 143.0 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -115.3 157.1 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LYS . 1.6 mpt_? -76.21 163.53 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.3 pmtp? -29.35 130.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -176.7 163.44 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -99.33 -42.16 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -110.5 106.49 57.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 122.76 9.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 34' ' ' GLU . 2.0 p -137.85 107.07 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -106.83 -46.18 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 58.22 49.63 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -107.66 153.18 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -103.79 134.98 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.574 ' CD2' ' HE3' ' A' ' 70' ' ' LYS . 68.3 m-85 -126.88 155.73 42.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 p -131.8 153.44 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 88' ' ' THR . 26.7 m-85 -144.0 128.66 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.11 83.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -137.16 132.2 17.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.59 28.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 41.8 t80 -38.71 -64.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.4 mp -36.03 -44.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.6 -49.07 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.21 -44.95 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -60.25 -47.75 84.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -65.98 -31.22 72.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -78.53 157.71 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 101' ' ' LEU . 27.2 m -121.13 143.64 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 103' ' ' LEU . 21.8 tp -86.89 108.98 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -115.37 106.35 13.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 101' ' ' LEU . 3.2 mp -101.8 117.11 34.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.4 m -107.8 123.75 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.72 111.05 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.425 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 57.4 t -113.7 150.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.64 118.09 35.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -83.3 123.04 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 113' ' ' ARG . 6.0 t70 -96.7 -175.08 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 2.3 mppt? -115.23 -9.75 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.478 ' HB2' ' CD ' ' A' ' 113' ' ' ARG . 87.7 m-85 -105.11 19.63 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m 73.0 36.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -96.54 -177.55 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 114' ' ' HIS . 0.0 OUTLIER -165.49 148.43 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.7 t -166.28 125.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.1 t -89.36 109.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.42 -39.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 166.53 170.23 31.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -136.13 146.87 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.0 t -128.98 120.24 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.467 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 60.4 p -110.19 152.36 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.1 p -163.81 127.78 1.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 125.46 12.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.35 26.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.14 -48.61 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -85.7 -43.34 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.539 HG13 ' CZ3' ' A' ' 135' ' ' TRP . 73.8 t -53.97 134.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.4 ' N ' HG12 ' A' ' 127' ' ' VAL . 1.6 m-20 -78.59 105.01 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 132' ' ' GLY . 10.2 mt -74.47 -72.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -38.33 -42.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -71.75 -40.1 69.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 115.79 136.27 5.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.72 136.23 12.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.471 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 11.0 t-160 -155.69 109.33 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.539 ' CZ3' HG13 ' A' ' 127' ' ' VAL . 40.8 p90 -151.8 178.1 9.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.571 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 21.2 m95 -120.92 123.95 43.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -119.04 167.95 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.95 113.49 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.8 mp -45.09 152.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.7 pt -124.59 151.83 67.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.644 0.735 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.443 ' HD3' ' CG ' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.77 111.69 2.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.305 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t -74.62 128.87 36.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -148.58 -178.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 152.3 69.19 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -75.47 102.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.0 t 50.6 42.06 26.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -140.9 138.86 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -131.82 173.05 11.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -109.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m 56.31 42.21 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -107.76 141.22 39.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 148.43 142.14 3.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' GLY . 80.1 p -36.77 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -165.31 155.75 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.38 149.16 21.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -126.4 74.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.95 -39.43 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.47 -157.71 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.8 mtp -147.0 150.55 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -128.44 136.87 51.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.5 t-160 -96.42 131.52 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -157.43 159.12 37.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.2 p -138.77 121.7 16.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 t -104.19 115.22 30.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -139.5 126.43 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -92.98 126.79 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 8.4 m-20 -82.7 121.3 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -82.34 -27.57 32.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -52.0 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.533 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.4 m80 -86.26 -2.79 58.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 50.81 50.19 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.7 p-80 -145.83 170.46 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -96.74 114.2 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -95.08 99.42 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -104.23 104.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -97.88 122.3 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.57 126.93 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 25.1 mt -105.39 165.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.454 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 12.4 pt-20 -64.57 161.9 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.7 -179.32 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -164.91 167.06 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 71.56 33.12 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.27 141.67 23.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.62 19.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.78 20.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 82.04 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 ' CG2' ' HA2' ' A' ' 46' ' ' GLY . 39.5 mm -131.77 137.3 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 t -95.11 171.17 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -43.96 -42.29 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.58 -54.77 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' HA2' ' CG2' ' A' ' 42' ' ' ILE . . . 95.26 81.43 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' ARG . 83.0 p -90.22 175.67 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' SER . 15.9 ptt180 -37.49 117.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' ASP . 11.8 tt0 -82.3 -54.87 4.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.2 m-20 -34.42 -64.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.9 mtp -89.9 86.2 6.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' ND1' ' A' ' 53' ' ' HIS . . . -144.44 120.87 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 52' ' ' ALA . 18.7 m-70 -146.35 164.23 33.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.3 p -163.1 179.77 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.2 m-80 -107.72 76.77 0.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.39 16.65 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -172.21 134.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 59' ' ' LYS . 93.8 t -94.14 137.89 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' HG13 ' A' ' 58' ' ' VAL . 43.2 mtpt -102.97 159.35 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.31 144.16 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.0 t -169.67 163.36 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 mt -123.19 96.69 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 46.1 mt -58.81 155.68 29.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo -69.75 -35.85 2.55 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.358 -0.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' PRO . 9.7 t0 -37.22 112.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -96.31 -34.7 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -69.7 -174.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.07 26.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.0 p -85.57 158.86 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -104.34 178.19 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -163.87 132.35 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.4 p -66.73 150.69 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.11 160.28 27.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 88.6 t -74.85 126.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -89.0 169.15 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' LYS . 19.4 mmm180 -85.76 161.8 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ARG . 13.1 mptt -37.08 114.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -175.24 159.62 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -91.3 -45.0 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -102.7 105.38 44.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.79 136.5 33.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.43 95.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -96.36 -59.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 60.86 39.89 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 6.4 tp10 -103.19 153.34 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 43.2 ttp180 -104.24 148.33 26.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -137.31 154.47 50.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 3.3 p -128.7 163.95 24.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 88' ' ' THR . 65.5 m-85 -157.74 126.77 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -72.99 82.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -137.56 132.34 17.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.51 28.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 77.4 t80 -39.22 -45.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.4 -52.17 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' ALA . 16.5 tt0 -64.09 -54.78 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.38 -45.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.595 ' OE1' ' CD2' ' A' ' 93' ' ' PHE . 31.0 mt-30 -53.28 -57.34 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.43 -26.62 66.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -73.15 139.98 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -106.75 124.47 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.2 tp -65.96 115.86 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 121' ' ' SER . 0.6 OUTLIER -117.32 122.11 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 mp -127.98 101.2 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -99.62 129.9 45.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.9 t -98.66 103.51 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.07 133.54 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.8 131.81 44.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 34.7 t80 -79.09 115.02 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 1.4 m-20 -79.43 -177.37 5.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.02 -42.17 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -79.82 47.12 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.1 m 40.78 46.66 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -113.09 162.43 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -128.49 138.32 52.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.55 134.61 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.4 t -105.55 88.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 mt -44.38 -60.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.0 -179.43 38.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -152.69 153.73 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.9 t -123.94 132.84 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.44 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 73.7 p -129.19 116.94 19.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 137' ' ' LYS . 37.8 t -131.33 126.9 21.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.72 13.67 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.0 mt -96.37 26.15 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.75 -12.56 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -125.54 -33.85 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.555 HG11 ' CH2' ' A' ' 135' ' ' TRP . 88.9 t -56.11 137.12 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.456 ' N ' HG13 ' A' ' 127' ' ' VAL . 0.5 OUTLIER -67.77 90.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLY . 46.4 mt -74.58 -66.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 8.5 m -40.24 -41.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -82.44 -29.06 30.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 114.42 161.32 13.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.96 132.85 6.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.477 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 2.5 t-160 -153.75 109.24 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.555 ' CH2' HG11 ' A' ' 127' ' ' VAL . 42.8 p90 -152.89 179.35 8.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.9 m95 -122.0 122.28 38.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.473 ' HD2' ' CG2' ' A' ' 122' ' ' VAL . 12.3 mttm -117.93 176.56 5.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.2 142.19 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.31 140.71 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.0 pt -113.73 151.0 44.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.689 0.757 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.32 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.0 t -61.2 134.93 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.96 152.95 39.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.7 p -174.53 142.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.0 t -60.15 144.9 48.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -154.05 161.58 41.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -105.03 140.45 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.97 -76.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -52.17 -45.45 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -83.46 -52.41 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.44 86.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 m -128.3 149.41 50.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -79.73 147.58 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -47.81 -58.6 4.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 63.44 38.98 9.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -94.38 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.12 -157.85 27.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.41 ' HE1' ' C ' ' A' ' 137' ' ' LYS . 44.6 mtp -149.77 144.01 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 tp -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.617 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 12.8 t-160 -93.76 127.62 39.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -159.37 172.39 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.9 p -150.31 132.92 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -105.76 116.47 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -139.65 119.81 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -91.48 134.37 34.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 m-20 -99.2 129.92 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.8 mm? -85.63 -39.98 16.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -42.58 -43.47 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 26.6 m-70 -111.67 -7.71 14.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 62.35 37.72 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CE1' HG23 ' A' ' 88' ' ' THR . 1.5 p-80 -118.38 169.35 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -101.99 116.63 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.77 97.95 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.82 102.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -92.33 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.8 t -84.38 102.72 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.7 mt -80.64 164.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -54.4 173.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.31 176.09 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -157.5 172.03 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 70.93 41.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.32 129.42 29.28 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.471 ' CG ' HG22 ' A' ' 117' ' ' ILE . 54.2 Cg_endo -69.71 151.18 69.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 169.41 19.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' CE1' ' A' ' 53' ' ' HIS . 53.6 Cg_endo -69.79 80.26 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.3 mm -119.47 144.02 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 t -125.54 -48.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -109.05 -64.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.88 156.14 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.14 79.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -69.52 -56.57 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -129.33 104.27 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -130.37 116.26 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.93 -33.29 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 ptp -85.81 44.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' HIS . . . -153.61 114.69 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 14.5 m-70 -173.81 146.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.442 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 13.6 p -106.11 -74.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.454 ' CB ' HG13 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -163.95 105.23 0.91 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.1 Cg_endo -69.8 135.64 30.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -152.27 136.27 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.87 139.87 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -99.31 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' LYS . 10.6 mt -137.88 118.24 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -133.82 132.31 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.19 91.67 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 26.4 mt -58.83 154.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo -69.75 -24.22 8.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.341 -0.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 99' ' ' ARG . 12.5 m-20 -46.58 118.93 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 -44.68 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.57 -58.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.74 115.34 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -140.32 143.96 36.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ILE . 8.0 tppt? -112.63 144.15 42.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.9 pt20 -129.7 150.79 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -83.47 166.7 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.31 -170.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.454 HG13 ' CB ' ' A' ' 55' ' ' ASN . 92.7 t -124.58 122.48 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -106.93 169.3 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' LYS . 55.6 mmm-85 -76.28 156.53 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' ARG . 15.2 pttt -36.48 115.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 t -163.68 117.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' NE2' ' HE2' ' A' ' 53' ' ' HIS . 15.1 mm-40 -45.64 -55.41 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 4.0 mptt -99.74 100.23 10.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.483 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.75 154.5 67.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.1 t -131.43 92.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 20.1 m-85 -98.6 -51.71 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER 33.57 47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -102.28 168.39 9.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -136.0 151.84 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 27' ' ' HIS . 8.9 p -128.0 148.59 50.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -141.12 123.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -71.46 94.81 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 1.5 tt -154.19 133.04 7.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 139.21 39.68 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.478 ' O ' ' C ' ' A' ' 94' ' ' LEU . 31.5 t80 -37.39 -64.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' PHE . 8.6 mp -31.93 -54.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE2' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -61.42 -52.46 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.58 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -47.71 -41.49 22.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -71.75 -35.33 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 95' ' ' GLU . 18.2 mmt85 -74.39 150.78 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.6 m -116.87 131.93 56.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 tp -78.94 105.03 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 119' ' ' LYS . 3.9 tt -121.48 124.88 45.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mp -115.45 114.68 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.9 m -101.33 111.51 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.4 t -80.49 110.69 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.36 142.42 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' PHE . 18.4 p-10 -83.49 151.62 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 107' ' ' ASP . 66.0 t80 -34.31 125.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -41.62 131.78 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -148.19 123.92 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 47.15 41.6 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 t 44.87 43.51 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 114' ' ' HIS . 30.6 mmt-85 -101.03 -29.1 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ARG . 9.6 m170 35.27 42.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 97.8 m -38.98 113.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.99 89.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.471 HG22 ' CG ' ' A' ' 39' ' ' PRO . 58.5 mt -50.18 -52.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -179.19 178.93 48.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 102' ' ' LEU . 9.2 pttp -142.77 160.37 40.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.6 t -134.47 100.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -96.35 143.33 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.4 p -152.23 130.17 6.04 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.746 2.297 . . . . 0.0 112.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 129' ' ' LEU . 11.1 mt -88.47 34.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.2 p -116.21 -22.8 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.84 -45.6 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.563 HG21 ' CZ3' ' A' ' 135' ' ' TRP . 10.2 p -67.7 145.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.14 99.35 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 124' ' ' LEU . 10.2 mt -75.21 -52.6 10.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 87.8 t -47.13 -38.91 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -80.86 -68.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.02 165.81 18.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.629 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -145.22 61.22 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.5 ' HE2' ' CE1' ' A' ' 16' ' ' HIS . 10.6 t-80 -83.63 98.7 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.629 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 9.1 p90 -147.81 174.02 12.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.617 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.7 m95 -115.02 132.93 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.41 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.3 mttt -127.51 156.82 41.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.29 126.83 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.24 157.3 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 5.9 pt -135.46 152.72 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.072 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -52.63 149.15 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -146.28 157.53 27.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.72 60.88 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.3 t -57.97 132.36 53.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.0 p -149.89 132.34 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -121.7 -0.86 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -119.87 -59.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.41 -78.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m 47.06 40.67 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -74.23 98.2 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.71 -172.48 44.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -45.98 123.83 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -96.68 177.47 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -98.62 108.26 20.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -109.86 36.26 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -46.69 -52.34 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.26 -156.49 27.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.6 mtp -146.01 155.99 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.2 tp -132.06 141.52 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.6 t-160 -98.28 129.13 45.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.37 168.42 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.39 139.74 20.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.5 t -116.9 114.92 24.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -134.44 126.16 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -96.63 131.53 43.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.47 127.7 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ASN . 3.7 mm? -81.27 -54.87 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' CD2' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -40.62 -44.65 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.505 ' CD2' ' HG ' ' A' ' 24' ' ' LEU . 31.7 m170 -94.79 -10.55 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' LEU . 38.1 m-80 51.25 51.34 17.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -146.28 170.91 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.41 125.87 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.9 m -115.12 101.47 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -96.45 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.01 102.39 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.62 125.54 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 34' ' ' GLU . 27.8 mt -108.77 165.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' ILE . 12.3 pt-20 -58.43 -178.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -148.72 176.97 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -165.8 168.78 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.04 26.38 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.1 127.77 50.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 133.52 25.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 169.39 19.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 105.77 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 43' ' ' SER . 49.0 mm -128.21 143.74 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 42' ' ' ILE . 8.6 t -112.58 151.22 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -49.29 -48.61 45.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.78 -48.44 80.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.65 59.36 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.8 m -91.32 106.55 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -120.35 150.74 40.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -134.81 165.36 25.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -41.25 -65.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.9 mmm -121.94 93.97 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.19 96.33 9.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.529 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 31.2 m-70 -72.24 161.3 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m -103.98 -42.71 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.4 p30 39.9 54.21 5.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 53.7 Cg_endo -69.7 172.77 11.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 28.0 p90 -166.27 132.91 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 105' ' ' VAL . 70.8 t -101.1 160.33 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 18.3 mtpp -126.35 163.82 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.1 mt -133.52 151.21 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 t -165.66 169.81 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.5 mt -125.81 100.0 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 35.8 mt -65.69 155.73 85.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.4 Cg_endo -69.8 -42.2 0.79 Allowed 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.31 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' PRO . 2.8 m-20 -34.21 121.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 18.9 mp0 -116.57 10.97 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -70.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.78 108.17 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 p -131.26 136.66 48.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -102.93 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -148.63 132.74 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 83' ' ' PHE . 69.0 p -83.5 142.74 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -40.89 118.78 1.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.8 112.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -74.36 167.67 21.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -131.91 139.31 48.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.529 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 17.5 mttp 59.31 52.74 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -159.96 140.27 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -89.55 -29.96 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -107.99 94.35 12.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.556 0.694 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 54.3 Cg_endo -69.74 101.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.46 95.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.519 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 1.4 m-85 -81.59 -42.65 19.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 43.0 49.36 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 10.3 tp10 -110.65 166.09 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 31.5 ttp180 -121.88 132.91 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -123.02 167.45 13.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.9 p -136.25 147.38 47.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 88' ' ' THR . 20.8 m-85 -145.44 111.0 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.94 87.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.411 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 3.4 tt -134.4 131.37 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.3 Cg_endo -69.73 131.22 20.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 94' ' ' LEU . 71.1 t80 -34.63 -66.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -33.64 -48.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 99' ' ' ARG . 31.1 tt0 -62.17 -51.25 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -37.77 -51.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -51.99 -50.4 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -65.23 -43.81 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 95' ' ' GLU . 23.6 mmt85 -70.29 153.95 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 101' ' ' LEU . 54.2 m -123.42 142.15 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.469 ' N ' HG23 ' A' ' 100' ' ' THR . 6.1 tp -91.1 113.92 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.7 tt -130.01 121.18 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.5 144.22 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.2 m -123.54 119.16 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 58' ' ' VAL . 55.5 t -97.08 123.77 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 2.8 t -123.56 144.75 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.404 ' CG ' HD11 ' A' ' 117' ' ' ILE . 1.9 m-20 -106.19 92.42 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -58.76 127.75 33.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -154.97 167.86 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' PHE . 13.3 tppt? -54.28 135.22 44.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 110' ' ' LYS . 17.5 m-85 34.83 46.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ARG . 47.5 t -96.12 80.67 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' SER . 52.5 mtm180 -34.44 -67.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 4.7 p80 -169.88 106.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 30.2 p -126.62 48.77 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.6 m -46.82 139.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.404 HD11 ' CG ' ' A' ' 107' ' ' ASP . 12.5 mm -75.91 -39.08 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.6 -178.42 43.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -139.31 145.56 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.29 104.1 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.51 151.27 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.05 127.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.635 0.731 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.71 11.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.1 mt -85.16 26.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.6 t -84.49 -52.24 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' VAL . 17.8 pt-20 -87.08 -45.29 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 128' ' ' ASP . 49.2 t -36.98 145.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 127' ' ' VAL . 1.1 m-20 -85.92 74.53 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.99 -47.96 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.6 t -41.96 -39.2 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 -74.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.46 175.62 40.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.586 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -138.73 61.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.412 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t-160 -84.26 104.42 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.586 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.4 p90 -153.18 179.6 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.9 m95 -124.31 131.51 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.429 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 15.2 mttm -128.55 164.72 22.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.22 139.44 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.05 149.97 40.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.3 pt -123.68 151.13 63.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 99.98 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t -62.96 -60.53 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 117.29 -160.31 13.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.7 m -75.92 102.2 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.1 p -112.97 159.13 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.78 -47.57 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.86 -160.81 28.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.0 mtp -145.92 144.56 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -128.9 137.6 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.2 t-160 -94.18 134.65 36.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -159.25 152.76 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.7 p -132.66 128.2 36.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 19' ' ' THR . 14.2 t -109.83 115.08 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.5 136.43 36.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 3.9 t80 -106.38 130.32 54.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -90.3 120.25 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.022 HD21 HG12 ' A' ' 130' ' ' VAL . 3.8 mm? -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.02 -43.56 98.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 31.6 m170 -90.8 -15.43 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 60.26 45.33 11.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -143.47 168.0 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' HD21 ' A' ' 62' ' ' LEU . 34.8 tp -93.58 117.78 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 m -100.94 98.65 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.73 103.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -92.07 124.08 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 72' ' ' THR . 1.8 m -79.77 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 34' ' ' GLU . 18.8 mt -110.01 163.32 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 33' ' ' ILE . 7.7 pt-20 -61.17 -179.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.37 -179.15 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -163.71 170.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 64.81 43.62 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.53 135.46 19.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.75 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD2' HD13 ' A' ' 117' ' ' ILE . 53.7 Cg_endo -69.73 152.28 69.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 3.5 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.41 27.75 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 0.0 112.391 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.5 155.1 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.39 140.74 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -107.08 164.09 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.97 154.21 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.99 154.67 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 28' ' ' LEU . 16.1 mt -120.48 95.84 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 8.8 mp -58.86 161.81 8.04 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.358 -0.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.53 136.18 11.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.637 HG21 HG21 ' A' ' 32' ' ' VAL . 70.1 p -79.03 159.94 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.13 172.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 69.7 t -101.61 118.26 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -83.89 168.14 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.4 mmt85 -83.22 164.98 19.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.481 ' HE2' ' N ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -34.23 110.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -165.05 150.24 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -84.96 -39.11 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -101.92 99.8 13.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.94 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.54 127.4 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -41.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 55.74 46.07 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 32' ' ' VAL . 7.8 tp10 -104.23 152.68 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -107.23 150.75 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.68 160.7 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.565 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 5.1 p -130.13 155.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.609 ' O ' HG22 ' A' ' 91' ' ' ILE . 50.1 m-85 -154.11 110.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.0 95.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.9 tt -141.39 132.32 13.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.71 126.84 13.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' PRO . 55.2 t80 -34.45 -61.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' PHE . 37.7 mt -34.13 -50.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.87 -48.7 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.02 -54.47 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -50.04 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -76.61 -34.21 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -72.16 165.82 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.449 HG23 ' C ' ' A' ' 122' ' ' VAL . 45.2 m -133.35 137.62 45.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.595 HD22 ' HB ' ' A' ' 19' ' ' THR . 5.4 tp -85.91 111.24 20.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 119' ' ' LYS . 8.1 tp -118.44 131.12 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 102' ' ' LEU . 4.0 mp -119.43 128.64 54.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.4 m -113.28 134.16 54.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.479 ' CG2' HD21 ' A' ' 139' ' ' LEU . 48.4 t -107.79 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 116' ' ' VAL . 15.4 t -122.34 138.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.425 ' HB ' HG22 ' A' ' 106' ' ' VAL . 1.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.865 0.364 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.429 HD13 ' HD2' ' A' ' 39' ' ' PRO . 81.9 mt -70.87 -43.62 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.491 ' C ' HD23 ' A' ' 139' ' ' LEU . . . 178.4 169.51 39.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 102' ' ' LEU . 10.7 ptmt -127.74 166.26 18.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 102' ' ' LEU . 55.3 t -144.1 107.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.506 ' HB3' HD13 ' A' ' 102' ' ' LEU . 80.3 p -103.9 144.98 30.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.501 HG21 ' CZ2' ' A' ' 135' ' ' TRP . 8.7 p -153.31 121.55 3.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.11 18.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.817 ' HB3' HD21 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -91.69 18.44 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.08 -47.93 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.89 -51.88 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.4 t -53.11 150.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.07 99.01 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.817 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.2 mt -64.16 -52.93 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 1.022 HG12 HD21 ' A' ' 23' ' ' LEU . 15.4 m -43.97 -32.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -93.37 -22.91 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 99.14 159.08 29.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -130.68 153.32 20.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.493 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 9.0 t-160 -170.43 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.501 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 35.7 p90 -153.01 179.08 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 17.4 m95 -120.28 133.28 55.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.411 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 44.1 mttt -129.58 163.0 26.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 139' ' ' LEU . . . -108.64 111.13 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 118' ' ' GLY . 4.9 mp -37.25 142.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.8 pt -117.5 152.73 49.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.164 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 38.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -88.91 -42.31 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.53 -156.26 26.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.0 mtp -150.65 146.21 26.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 35' ' ' ALA . 11.3 tp -124.4 141.73 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.1 t-160 -100.12 130.22 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' HG11 ' A' ' 120' ' ' VAL . 33.2 p90 -153.44 155.23 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' ' 33' ' ' ILE . 91.1 p -136.47 119.13 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' THR . 9.6 t -102.63 116.67 33.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' HA3' ' A' ' 132' ' ' GLY . 1.1 tp-100 -138.48 128.22 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -96.71 129.68 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.43 113.36 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.0 mm? -70.81 -39.61 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 24' ' ' LEU . 7.3 tt -52.25 -48.29 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 94.9 m-70 -98.42 -3.95 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 53.6 43.19 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -129.13 175.04 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -107.14 104.34 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.415 HG22 ' HD2' ' A' ' 86' ' ' ARG . 11.1 m -84.39 97.11 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -103.13 106.15 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -97.4 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.12 106.74 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 34' ' ' GLU . 21.7 mt -85.35 166.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.577 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.9 pt-20 -63.82 -178.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.577 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -150.71 177.56 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -162.23 170.78 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 68.54 31.97 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.39 138.94 21.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 143.97 52.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.5 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.06 17.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -166.77 136.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 105' ' ' VAL . 66.4 t -94.63 148.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -116.07 163.96 15.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.42 146.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 p -158.72 126.27 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -92.07 97.14 10.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 3.1 mm? -76.36 155.51 83.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.357 -0.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.5 tppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.705 0.288 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.6 pt20 -140.85 150.17 42.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.8 p -87.3 157.27 19.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.65 160.34 37.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.538 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 94.5 t -74.15 127.79 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 14.1 mmmt -91.95 164.9 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.6 mmt180 -80.3 161.26 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' ARG . 52.4 mtmt -35.91 114.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -174.13 146.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.26 -39.82 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.6 ptmt -105.3 99.77 22.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 53.3 Cg_endo -69.8 122.97 9.63 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.521 HG22 ' CB ' ' A' ' 34' ' ' GLU . 59.4 t -124.53 88.22 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 81' ' ' PRO . 1.1 m-85 -81.43 -54.33 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE1' HG12 ' A' ' 82' ' ' VAL . 22.5 mt-10 60.01 45.29 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -108.97 156.08 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HD2' HG22 ' A' ' 29' ' ' THR . 7.7 tpp180 -104.97 143.99 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -141.58 148.51 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.8 p -130.19 166.86 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.584 ' O ' HG22 ' A' ' 91' ' ' ILE . 86.4 m-85 -152.75 122.12 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.7 80.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.3 tt -132.16 132.07 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.37 21.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.418 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CE2' ' NE2' ' A' ' 97' ' ' GLN . 75.4 t80 -38.93 -61.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' ARG . 40.1 tt0 -73.92 -46.02 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.554 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -37.41 -42.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 93' ' ' PHE . 77.0 mt-30 -64.43 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.4 mtm180 -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -90.0 161.86 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.0 m -123.72 148.07 46.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.636 HD23 HG11 ' A' ' 122' ' ' VAL . 9.4 tp -94.59 103.78 15.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 103' ' ' LEU . 1.8 tm? -117.81 127.26 53.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.757 ' N ' HD13 ' A' ' 102' ' ' LEU . 2.4 mp -121.87 127.81 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 m -111.86 126.58 55.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 58' ' ' VAL . 73.1 t -94.04 114.35 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.895 HG22 HG12 ' A' ' 116' ' ' VAL . 40.8 t -117.47 148.51 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.895 HG12 HG22 ' A' ' 106' ' ' VAL . 16.1 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 70.7 mt -78.67 -40.21 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.85 -178.11 48.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -141.83 163.43 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.564 ' O ' HD22 ' A' ' 102' ' ' LEU . 50.6 t -136.95 118.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.583 ' HB3' HD23 ' A' ' 102' ' ' LEU . 95.0 p -107.04 149.33 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.636 HG11 HD23 ' A' ' 101' ' ' LEU . 14.9 p -161.61 120.7 1.46 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 131.21 20.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.763 ' HB3' HD21 ' A' ' 129' ' ' LEU . 4.9 mt -95.75 18.06 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.75 -21.89 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.77 -36.84 6.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.472 HG11 ' HH2' ' A' ' 135' ' ' TRP . 80.5 t -62.06 137.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.63 83.89 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.6 mt -60.46 -40.32 90.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.417 HG22 HD21 ' A' ' 23' ' ' LEU . 63.6 t -58.01 -45.1 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.47 -29.16 41.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.446 ' HA3' ' NE2' ' A' ' 20' ' ' GLN . . . 116.73 161.12 12.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.18 132.22 6.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -157.65 107.15 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.492 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 39.0 p90 -152.17 179.33 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 22.1 m95 -122.45 130.97 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.409 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.0 mttt -126.07 171.83 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.06 128.57 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.42 145.21 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.65 152.09 46.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 90.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.4 mt -104.91 -48.18 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.46 -148.93 20.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.492 ' HA ' HD12 ' A' ' 139' ' ' LEU . 44.4 mtp -145.86 159.78 42.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 35' ' ' ALA . 22.7 tp -134.52 130.03 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 6.2 t-160 -89.65 134.08 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -159.3 148.61 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -131.25 119.81 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 19' ' ' THR . 6.3 t -108.4 120.55 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.403 ' CG ' ' HA2' ' A' ' 132' ' ' GLY . 11.8 tm0? -143.46 119.67 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 30.5 t80 -81.49 147.75 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.5 m-20 -117.89 136.93 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.56 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.1 mm? -90.8 -28.82 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -45.73 -42.33 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 31.7 m-70 -121.93 -1.72 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.33 44.91 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p80 -127.43 167.87 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.58 110.1 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.27 100.06 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -100.12 106.66 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -92.13 103.94 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 72' ' ' THR . 92.6 t -68.45 104.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 34' ' ' GLU . 37.9 mt -83.58 165.17 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.602 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.5 pt-20 -66.21 -179.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.539 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -147.0 178.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -160.73 175.46 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.06 41.63 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.945 HD22 HG21 ' A' ' 117' ' ' ILE . 92.8 mt -102.97 140.45 21.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.24 15.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.294 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.479 ' HB3' HG13 ' A' ' 74' ' ' VAL . 8.9 m120 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.34 56.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -150.01 151.03 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 61.6 t -105.88 148.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -115.37 162.56 16.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 32' ' ' VAL . 6.8 mt -133.26 154.36 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -168.8 147.3 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.59 91.95 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 56.9 mt -60.53 154.85 53.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.341 -0.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HE3' ' CD1' ' A' ' 87' ' ' TYR . 8.1 tppt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.9 pt20 -133.65 140.34 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.554 HG21 HG11 ' A' ' 32' ' ' VAL . 54.5 p -66.77 -52.36 44.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.4 -177.29 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 55' ' ' ASN . 74.4 t -98.3 108.61 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -81.45 167.25 19.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 78' ' ' THR . 26.1 mmm180 -82.18 158.47 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' ARG . 11.1 mptt -35.91 112.67 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 76' ' ' ARG . 14.7 t -175.1 128.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -61.12 -38.95 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -103.39 94.93 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.7 Cg_endo -69.74 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.77 112.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 19.8 m-85 -101.59 -49.79 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.48 41.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -105.43 166.14 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -123.03 145.61 48.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.487 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 75.4 m-85 -143.43 162.78 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.558 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -128.13 162.54 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 88' ' ' THR . 51.4 m-85 -154.26 114.31 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.84 94.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.6 tt -147.27 133.47 9.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.79 131.45 21.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 49.6 t80 -37.27 -60.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.8 mp -36.34 -59.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 98' ' ' ARG . 24.8 tt0 -58.99 -44.43 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . -38.51 -45.16 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.06 -42.02 99.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLU . 54.6 mtt85 -68.62 -33.13 73.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -82.65 158.6 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 122' ' ' VAL . 24.0 m -122.28 144.94 48.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.642 ' O ' HG12 ' A' ' 122' ' ' VAL . 17.7 tp -96.56 103.42 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 102' ' ' LEU . 10.4 tt -117.78 128.03 54.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 mp -113.43 112.22 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 106' ' ' VAL . 92.9 m -88.99 111.59 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -84.59 105.82 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.419 HG23 HG22 ' A' ' 104' ' ' THR . 60.0 t -113.97 147.53 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 116' ' ' VAL . 12.9 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.945 HG21 HD22 ' A' ' 38' ' ' LEU . 23.8 mm -80.12 -41.66 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 168.08 177.96 39.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.906 ' HE3' HD11 ' A' ' 140' ' ' ILE . 31.1 pttt -131.77 144.94 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.96 108.39 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.1 p -97.44 149.59 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.705 HG21 ' HZ2' ' A' ' 135' ' ' TRP . 2.3 p -155.87 121.74 2.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 133.82 26.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 129' ' ' LEU . 10.0 mt -100.26 15.91 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.9 -1.11 49.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -122.84 -40.42 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.6 HG11 ' CH2' ' A' ' 135' ' ' TRP . 26.0 t -67.07 131.33 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.28 73.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 124' ' ' LEU . 6.3 mt -49.42 -51.32 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 93' ' ' PHE . 86.8 t -37.97 -43.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -82.98 -66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.403 ' HA2' ' CG ' ' A' ' 20' ' ' GLN . . . 162.32 159.71 10.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -133.41 133.09 6.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.495 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 11.3 t-160 -158.58 106.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.705 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 37.9 p90 -152.86 178.63 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.7 m95 -121.08 129.73 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -124.28 162.0 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.76 136.04 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.4 mp -70.08 154.85 41.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.906 HD11 ' HE3' ' A' ' 119' ' ' LYS . 7.3 pt -131.45 151.79 79.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.12 2.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.816 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -50.05 -57.25 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.95 -158.11 28.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtp -143.61 147.35 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' A' ' 35' ' ' ALA . 12.4 tp -129.49 140.06 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.9 t-160 -100.09 134.46 42.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.454 ' CE1' HG11 ' A' ' 120' ' ' VAL . 28.5 p90 -158.71 153.23 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -133.28 121.26 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.1 t -106.18 119.69 39.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -142.48 140.02 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -107.98 139.52 42.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -105.11 130.81 53.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.58 -39.15 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 ' NE2' ' A' ' 25' ' ' HIS . 10.5 tt -48.65 -45.47 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 96.5 m-70 -100.93 -15.68 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 m120 63.62 47.93 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -139.44 165.83 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.93 113.87 26.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -94.82 99.81 11.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.5 t -101.02 108.67 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -96.37 102.91 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 ' H ' ' A' ' 85' ' ' GLU . 18.9 m -64.78 120.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 34' ' ' GLU . 9.2 mt -101.87 169.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.596 ' H ' HG22 ' A' ' 33' ' ' ILE . 12.6 pt-20 -66.88 178.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.689 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.77 -179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -165.43 169.66 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t0 69.42 41.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -98.76 125.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.22 64.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.486 ' HB2' HG13 ' A' ' 74' ' ' VAL . 3.0 p30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.8 Cg_endo -69.77 136.71 33.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 13.8 p90 -150.86 134.99 16.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.16 149.35 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' C ' HG13 ' A' ' 60' ' ' ILE . 40.1 mtpt -114.82 160.61 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 59' ' ' LYS . 6.5 mt -137.84 135.04 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -153.63 133.33 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.78 97.23 9.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 77.2 mt -66.07 154.38 89.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.297 -0.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 11.8 tppt? . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.731 0.301 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 5.8 pt20 -128.57 167.53 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.471 HG22 HG21 ' A' ' 32' ' ' VAL . 39.6 p -85.39 -29.37 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.73 -148.24 18.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG13 ' HB2' ' A' ' 55' ' ' ASN . 72.5 t -132.39 137.2 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 39.1 mmtm -127.46 169.22 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 40.7 mmt180 -86.95 163.6 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 26.9 mtmt -35.34 110.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 78' ' ' THR . 14.8 t -159.55 121.79 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.4 -17.97 64.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -127.0 88.33 54.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.28 14.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.56 129.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -128.47 -30.39 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 41.18 54.41 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' H ' HG23 ' A' ' 32' ' ' VAL . 39.2 tp10 -106.8 156.18 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 20.4 ttm180 -113.16 132.2 55.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -126.64 152.57 46.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.467 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.2 p -119.25 151.92 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 88' ' ' THR . 30.2 m-85 -143.94 126.32 15.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.81 94.97 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -148.01 133.74 9.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.597 0.713 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.77 129.76 18.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' PRO . 69.4 t80 -36.45 -56.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -39.61 -58.15 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.23 -45.53 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.14 -44.69 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.18 -44.38 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -70.46 -46.07 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -54.08 164.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 122' ' ' VAL . 92.9 m -135.8 138.76 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HB3' HG13 ' A' ' 122' ' ' VAL . 16.5 tp -80.95 113.3 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -122.99 115.71 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 101' ' ' LEU . 1.7 mp -116.51 103.85 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.7 m -91.42 129.76 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.37 105.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 1.8 t -118.14 143.72 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.42 -43.12 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.25 -176.47 48.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -151.75 163.04 40.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 17' ' ' PHE . 68.9 t -133.97 112.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.408 ' CB ' HD23 ' A' ' 102' ' ' LEU . 3.8 p -103.77 143.78 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 101' ' ' LEU . 2.0 p -155.89 125.71 3.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.5 17.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.929 HD22 HD21 ' A' ' 129' ' ' LEU . 96.6 mt -84.38 15.0 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.9 t -98.07 -10.19 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -101.89 -47.3 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -75.65 137.07 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.07 82.57 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.929 HD21 HD22 ' A' ' 124' ' ' LEU . 8.9 mt -44.15 -51.8 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 129' ' ' LEU . 88.8 t -36.07 -55.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -70.58 -59.13 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.94 156.55 6.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -125.99 135.92 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.53 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.404 ' NE2' ' CE1' ' A' ' 16' ' ' HIS . 9.8 t-160 -164.16 105.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.543 ' CD1' ' HE2' ' A' ' 137' ' ' LYS . 34.1 p90 -152.92 179.2 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 19.8 m95 -117.96 136.23 53.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.543 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 11.9 mttm -135.27 164.23 28.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.43 133.27 46.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.01 148.5 43.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.9 pt -123.06 150.8 60.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 111.154 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 100.58 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.867 0.365 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.2 mt -103.36 -48.27 4.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.85 -147.21 18.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.556 ' HA ' HD12 ' A' ' 139' ' ' LEU . 65.0 mtp -154.32 154.25 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 35' ' ' ALA . 9.3 tp -131.5 135.73 47.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.648 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 6.2 t-160 -94.22 129.14 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -158.68 170.68 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.04 142.67 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.17 116.39 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -135.29 116.83 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 9.6 t80 -90.44 125.12 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.39 133.82 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.71 -33.93 18.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -55.63 -49.69 72.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.4 m-70 -97.55 -10.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m120 58.02 47.49 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -130.99 169.21 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.9 tp -101.0 107.4 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -91.66 100.97 13.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.65 109.62 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.758 HH21 HD11 ' A' ' 33' ' ' ILE . 22.7 ttp180 -95.37 128.25 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -91.59 106.18 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.758 HD11 HH21 ' A' ' 31' ' ' ARG . 56.8 mt -87.42 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.634 ' N ' HG22 ' A' ' 33' ' ' ILE . 18.1 pt-20 -58.57 177.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -147.31 -179.23 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -163.03 176.42 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 64.54 34.73 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD22 HG21 ' A' ' 117' ' ' ILE . 91.2 mt -97.57 136.75 21.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 123.29 9.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.23 8.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -171.28 153.68 3.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 105' ' ' VAL . 60.5 t -108.3 157.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.171 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 58' ' ' VAL . 35.9 mtpt -122.88 155.7 36.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mt -130.75 139.41 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 p -157.6 144.06 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 mt -103.98 92.68 4.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 19.8 mt -71.97 155.7 91.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.8 tppt? . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.758 0.313 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -125.59 171.52 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.4 p -119.53 139.76 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.46 161.62 1.66 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 74' ' ' VAL . 3.2 m -86.94 129.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 83' ' ' PHE . 15.9 mmtm -79.31 163.88 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 78' ' ' THR . 38.0 mmt180 -76.85 165.23 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ARG . 3.4 pttp -34.09 114.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 76' ' ' ARG . 15.0 t -172.28 161.5 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -95.44 -18.4 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -131.9 100.46 15.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.69 121.52 8.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 34' ' ' GLU . 1.5 p -125.11 105.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -102.15 -30.31 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' PHE . 31.7 mt-10 37.86 51.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -112.79 145.25 40.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -98.33 143.09 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -134.69 147.65 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -119.12 159.58 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 88' ' ' THR . 40.4 m-85 -148.08 123.71 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 tt -144.83 132.27 10.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.84 128.11 15.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' LEU . 50.6 t80 -36.66 -62.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' PHE . 7.3 mp -35.21 -40.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -79.33 -45.56 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.47 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -43.05 -43.78 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -55.89 -37.65 69.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -75.26 -30.17 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -76.14 163.75 26.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.2 m -128.61 135.18 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.12 113.54 20.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.3 tm? -122.15 127.05 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -124.88 115.25 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.3 m -104.31 136.74 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 58' ' ' VAL . 69.3 t -108.73 110.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.51 150.55 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.822 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.43 HG21 HD22 ' A' ' 38' ' ' LEU . 5.9 mm -52.61 -41.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 171.06 -166.96 40.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.07 159.35 36.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.48 117.79 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.451 ' HB3' HD23 ' A' ' 102' ' ' LEU . 4.5 p -108.46 145.32 34.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.7 p -153.56 130.31 5.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.28 20.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 129' ' ' LEU . 7.1 mt -96.85 23.2 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 47.5 t -86.44 -54.15 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.65 -38.44 23.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 49.5 t -46.74 136.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -79.99 62.82 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 124' ' ' LEU . 27.3 mt -40.49 -44.36 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.9 t -43.72 -59.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -73.92 -57.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.43 172.49 19.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.605 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -136.07 60.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -83.85 103.82 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.5 p90 -152.2 179.4 8.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.648 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 12.2 m95 -122.53 129.49 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.469 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 25.6 mttt -125.74 171.75 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.32 133.79 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.3 mp -66.21 143.01 57.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.9 pt -118.04 155.51 51.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.186 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 112.1 3.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.822 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.78 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.75 -151.56 14.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.9 mtp -157.35 142.28 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.55 130.81 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.0 t-160 -91.39 132.64 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.43 158.26 35.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -137.73 138.41 39.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -120.59 113.61 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.98 120.94 19.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 4.0 t80 -92.68 136.66 33.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -107.14 120.27 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 mp -76.79 -34.27 57.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -43.9 -42.16 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.1 m170 -116.87 10.3 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 45.8 47.53 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -132.99 163.68 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -99.31 116.71 32.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 m -96.94 103.01 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.14 110.68 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -103.53 104.28 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.85 131.74 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.614 HG22 ' N ' ' A' ' 34' ' ' GLU . 38.3 mt -109.52 164.88 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.614 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.6 pt-20 -57.66 177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.09 179.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -164.94 173.57 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.17 40.35 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -96.3 128.19 37.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 146.38 59.98 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB2' HG13 ' A' ' 74' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.72 166.96 25.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.468 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 4.8 p90 -172.91 135.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 59' ' ' LYS . 62.8 t -99.4 152.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 58' ' ' VAL . 7.0 mtpm? -115.8 157.44 24.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -133.11 133.08 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.38 147.06 27.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.94 92.62 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 67.0 mt -64.01 153.04 86.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.333 -0.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.746 0.308 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.92 149.09 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.561 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 26.6 p -88.08 161.62 17.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.09 176.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 55' ' ' ASN . 87.8 t -114.45 110.97 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -94.18 169.35 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 2.3 mpt_? -76.1 163.26 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.7 pttm -34.43 120.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -168.89 138.26 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -81.87 -33.33 30.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -114.31 77.87 4.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.22 34.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 82' ' ' VAL . 3.1 p -130.2 111.46 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 1.2 m-85 -93.01 -43.19 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 46.78 39.83 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -102.34 178.6 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -128.74 145.31 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.95 149.88 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 9.3 p -124.08 152.18 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 88' ' ' THR . 28.1 m-85 -146.88 120.12 8.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 83.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 89' ' ' PHE . 2.3 tt -140.74 132.13 13.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.1 Cg_endo -69.77 131.69 21.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 86.7 t80 -36.19 -60.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.72 -41.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -74.19 -52.05 13.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.3 -15.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 52.2 mt-30 -79.99 -49.96 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.28 -24.98 60.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 64' ' ' PRO . 2.7 mmp_? -72.91 164.0 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.2 m -125.1 144.76 50.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.587 ' HB3' HG13 ' A' ' 122' ' ' VAL . 22.8 tp -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.628 HD13 ' N ' ' A' ' 103' ' ' LEU . 1.3 tm? -130.72 118.42 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.628 ' N ' HD13 ' A' ' 102' ' ' LEU . 4.9 mp -106.17 149.28 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -132.41 120.21 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.591 ' CG2' HD21 ' A' ' 139' ' ' LEU . 54.5 t -94.53 108.35 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 47.9 t -119.77 145.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 98.1 mt -56.8 -52.5 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.13 -169.18 38.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HD3' ' CB ' ' A' ' 142' ' ' SER . 2.2 ptmt -147.14 177.69 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.1 t -147.66 116.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.496 ' HB3' HD23 ' A' ' 102' ' ' LEU . 54.5 p -106.33 150.23 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.587 HG13 ' HB3' ' A' ' 101' ' ' LEU . 2.1 p -162.63 120.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.33 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 129' ' ' LEU . 85.0 mt -57.31 -20.36 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.8 p -60.27 -29.04 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.35 -10.55 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 128' ' ' ASP . 59.5 t -83.07 154.14 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG12 ' A' ' 127' ' ' VAL . 4.4 m-20 -93.85 72.58 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.683 HD21 HD22 ' A' ' 124' ' ' LEU . 18.7 mt -55.48 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.02 -57.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -68.46 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.79 135.84 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.09 127.45 8.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -154.08 106.42 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.472 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 45.6 p90 -152.7 179.55 8.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.551 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.0 m95 -117.94 125.55 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 18.1 mttt -123.16 159.31 28.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.05 128.01 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.591 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.3 mp -58.28 137.35 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.5 pt -105.42 151.9 39.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 27.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.523 HD12 ' HD3' ' A' ' 141' ' ' PRO . 13.5 mt -72.82 -24.01 60.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.6 -164.48 25.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -141.82 153.15 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -136.19 138.02 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 13.2 t-160 -97.99 134.87 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -157.46 159.31 37.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.9 p -139.3 129.73 25.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.564 ' HB ' HD22 ' A' ' 101' ' ' LEU . 10.2 t -114.41 121.83 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -143.9 131.43 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 20.0 t80 -98.75 144.59 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.3 t0 -108.69 128.38 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.42 -26.73 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 24' ' ' LEU . 1.9 tt -60.01 -47.88 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 35.8 m-70 -108.67 5.33 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 1.3 p-10 45.86 52.57 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -132.87 161.99 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.83 109.11 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.505 HG21 ' HE ' ' A' ' 86' ' ' ARG . 26.3 m -94.53 114.99 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -114.46 102.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -84.23 108.17 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 32' ' ' VAL . 33.1 m -72.27 117.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.584 HG22 ' N ' ' A' ' 34' ' ' GLU . 14.8 mt -98.77 168.13 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.604 ' CB ' HG22 ' A' ' 82' ' ' VAL . 11.2 pt-20 -68.18 179.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.35 -179.02 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -163.02 177.48 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.55 49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -105.85 131.48 21.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HG2' HD12 ' A' ' 117' ' ' ILE . 53.6 Cg_endo -69.72 123.82 10.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 154.16 67.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 17.9 p90 -144.2 147.35 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 105' ' ' VAL . 92.4 t -98.54 131.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -105.57 157.76 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.75 136.22 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.12 134.38 11.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.44 93.11 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.6 mm? -69.28 154.78 94.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.359 -0.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 8.6 tppt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.691 0.281 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -125.96 172.81 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -103.69 171.13 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.15 162.15 54.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.08 125.38 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 9.6 mptt -93.23 162.97 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' LYS . 13.9 mmt85 -87.87 165.5 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.8 tttt -30.85 111.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 76' ' ' ARG . 9.2 t -175.01 133.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.97 -43.42 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.4 mtpt -103.37 94.75 6.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 54.0 Cg_endo -69.77 140.89 43.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.604 HG22 ' CB ' ' A' ' 34' ' ' GLU . 98.4 t -133.8 106.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.7 m-85 -98.93 -58.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 56.2 47.34 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -105.31 160.21 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 29' ' ' THR . 18.0 ttt180 -116.28 143.61 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -142.72 160.52 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -130.19 162.34 29.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 88' ' ' THR . 37.2 m-85 -149.7 112.08 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.59 94.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -150.38 138.61 12.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' A' ' 91' ' ' ILE . 53.8 Cg_endo -69.77 140.74 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -49.38 -46.57 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 mt -48.96 -38.46 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -78.95 -41.79 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.73 -40.3 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -63.93 -45.47 89.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -69.06 -14.45 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -98.58 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 122' ' ' VAL . 62.7 m -128.05 143.21 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 19' ' ' THR . 9.1 tp -89.78 102.58 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 119' ' ' LYS . 2.0 tt -116.24 121.78 43.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.33 124.09 51.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.8 m -107.94 116.54 32.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 58' ' ' VAL . 48.2 t -91.6 103.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.6 t -109.39 154.06 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.496 ' O ' HD22 ' A' ' 12' ' ' LEU . 7.5 mm -76.4 -43.24 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.16 178.06 48.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.707 ' HB2' HD21 ' A' ' 102' ' ' LEU . 19.7 pttm -135.06 145.68 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 41.8 t -132.75 102.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 54.7 p -102.67 147.88 26.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 100' ' ' THR . 2.4 p -148.38 121.97 4.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.15 4.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.72 -0.23 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.87 -18.71 65.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -118.66 -21.06 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.31 144.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 65.32 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.2 mt -45.03 -54.17 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.6 t -42.48 -58.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -68.05 -71.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.76 152.11 6.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -120.05 136.0 11.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.496 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 7.8 t-160 -161.2 105.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.487 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 40.5 p90 -153.13 179.39 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 6.4 m95 -122.58 132.64 54.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 18.4 mttt -129.93 165.77 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.43 129.35 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.44 143.27 56.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.4 pt -125.54 150.8 69.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 111.16 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.523 ' HD3' HD12 ' A' ' 12' ' ' LEU . 53.5 Cg_endo -69.75 120.47 7.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.323 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.855 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.43 -50.19 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.63 28.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.9 mtp -133.9 154.48 51.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 35' ' ' ALA . 21.8 tp -130.23 139.3 50.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.9 t-160 -99.07 132.34 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -159.3 146.99 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -130.66 125.38 33.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' THR . 15.2 t -107.75 124.12 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -142.87 117.7 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.57 129.14 36.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 137.93 36.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.56 -54.8 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -38.79 -38.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.503 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 98.6 m-70 -98.15 -29.76 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 71.99 41.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.503 ' CD2' ' HB3' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -135.94 175.86 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -104.45 111.2 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -92.99 99.96 12.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.36 108.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.46 106.59 18.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.73 108.34 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 34' ' ' GLU . 21.8 mt -88.15 166.01 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.597 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.9 pt-20 -68.08 173.33 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.701 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -143.57 -179.86 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -161.73 -179.92 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.7 31.2 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.574 HD22 HG21 ' A' ' 117' ' ' ILE . 75.5 mt -100.45 139.1 20.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 10.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 54.1 Cg_endo -69.75 -172.73 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -172.42 158.17 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.623 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 75.3 t -112.69 150.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -118.41 157.41 27.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.96 136.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -156.31 134.81 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.39 121.03 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 64' ' ' PRO . 3.9 mm? -102.36 156.01 35.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.543 ' O ' HD13 ' A' ' 63' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.377 -0.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.722 0.296 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -147.64 172.13 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 p -105.13 164.78 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.26 54.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.0 t -88.94 132.62 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -103.09 165.05 11.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' CD ' ' N ' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -76.21 165.39 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -33.19 124.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -175.11 156.51 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -95.9 -26.09 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -114.39 106.64 52.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.79 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.2 119.03 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.623 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 15.5 m-85 -112.61 -64.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 55.82 41.48 30.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.39 153.51 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -110.42 133.28 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -127.02 152.5 47.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.65 147.8 50.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.636 ' O ' HG22 ' A' ' 91' ' ' ILE . 71.0 m-85 -139.38 117.59 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.98 84.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.5 tt -138.16 131.51 16.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.03 46.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 94' ' ' LEU . 57.9 t80 -42.48 -63.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 93' ' ' PHE . 58.6 mt -34.6 -59.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -61.58 -44.84 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.598 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -45.84 -50.18 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.18 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -78.42 155.05 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.6 m -118.43 124.39 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.642 ' HG ' HD11 ' A' ' 103' ' ' LEU . 20.7 tp -62.7 104.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -110.95 129.66 55.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.774 ' N ' HD13 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -133.88 107.24 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.7 m -95.21 123.89 38.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.529 HG21 HD21 ' A' ' 139' ' ' LEU . 94.0 t -95.38 106.61 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -110.94 132.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 116' ' ' VAL . 7.2 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.574 HG21 HD22 ' A' ' 38' ' ' LEU . 40.2 mm -67.27 -42.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.12 -161.56 34.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -162.19 169.8 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.834 ' O ' HD22 ' A' ' 102' ' ' LEU . 85.4 t -137.7 149.61 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.434 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 37.4 p -138.19 116.9 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.733 HG22 ' HE3' ' A' ' 137' ' ' LYS . 73.9 t -132.01 125.07 19.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 126.37 13.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.741 ' HB3' HD21 ' A' ' 129' ' ' LEU . 17.0 mt -93.95 29.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.9 t -102.16 -46.98 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.89 -50.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.579 HG21 ' CH2' ' A' ' 135' ' ' TRP . 7.8 p -60.37 155.3 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -89.5 112.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 124' ' ' LEU . 14.9 mt -85.52 -48.34 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.4 t -42.59 -46.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -59.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 152.82 160.93 9.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.21 127.23 4.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 8.1 t-160 -148.96 110.15 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.579 ' CH2' HG21 ' A' ' 127' ' ' VAL . 31.8 p90 -152.85 178.68 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.572 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 18.3 m95 -124.27 131.91 53.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.733 ' HE3' HG22 ' A' ' 122' ' ' VAL . 19.9 mttm -129.33 172.75 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.02 130.89 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 105' ' ' VAL . 5.7 mp -61.74 143.23 56.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.0 pt -114.92 151.57 45.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.655 0.741 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 111.2 2.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.58 -30.6 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.61 -159.84 14.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mtp -141.83 155.2 45.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -131.03 135.48 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 8.1 t-160 -97.88 134.43 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 4.1 p90 -159.1 152.3 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 p -129.56 129.11 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 19' ' ' THR . 6.4 t -112.33 114.58 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -139.24 121.18 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 22' ' ' ASP . 12.3 t80 -91.34 146.17 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.0 t70 -112.75 117.11 31.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD11 HG22 ' A' ' 130' ' ' VAL . 9.0 mp -71.88 -45.83 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -48.93 -52.09 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 80.8 m-70 -89.54 -10.48 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 55.26 50.33 15.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -139.36 170.7 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' HG ' HG23 ' A' ' 30' ' ' VAL . 57.6 tp -105.41 107.22 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -84.79 99.96 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' HG ' ' A' ' 28' ' ' LEU . 93.9 t -106.75 104.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.16 106.76 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG11 HG21 ' A' ' 72' ' ' THR . 85.9 t -70.62 102.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.613 HG22 ' N ' ' A' ' 34' ' ' GLU . 46.9 mt -76.89 165.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.613 ' N ' HG22 ' A' ' 33' ' ' ILE . 11.9 pt-20 -64.57 173.02 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 175.66 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -162.33 179.72 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 62.75 36.24 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -96.75 138.33 21.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.705 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 142.32 47.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.372 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 5.6 m120 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 146.94 61.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CE1' HG13 ' A' ' 106' ' ' VAL . 44.9 p90 -148.36 142.42 25.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.481 HG23 ' CE2' ' A' ' 83' ' ' PHE . 52.0 t -92.86 129.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -99.94 153.31 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.49 154.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.53 156.02 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.2 mt -117.89 101.75 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.0 mt -72.21 156.92 90.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.305 -0.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' NZ ' ' CE1' ' A' ' 89' ' ' PHE . 9.7 mttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -148.9 144.46 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.471 HG21 HG11 ' A' ' 32' ' ' VAL . 25.7 p -75.66 155.66 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -38.95 153.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.89 137.24 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HB3' HG22 ' A' ' 78' ' ' THR . 19.1 mmtm -84.4 169.5 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' LYS . 9.9 mmt85 -136.18 118.49 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.0 mttm 33.25 54.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.696 HG22 ' HB3' ' A' ' 75' ' ' LYS . 2.6 t -136.76 133.32 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.63 -19.98 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 2.9 pttp -113.11 97.92 44.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.529 0.681 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.78 96.38 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 34' ' ' GLU . 93.3 t -103.44 81.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CE2' HG23 ' A' ' 58' ' ' VAL . 8.1 m-85 -72.75 -61.18 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 61.52 34.13 18.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -106.15 155.04 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -109.1 142.25 40.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.75 155.61 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.5 145.35 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' CE1' ' NZ ' ' A' ' 70' ' ' LYS . 81.2 m-85 -136.5 126.17 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.15 86.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 99' ' ' ARG . 1.6 tt -142.0 131.23 12.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.73 131.68 21.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' PRO . 71.8 t80 -35.2 -51.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 mp -38.61 -53.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.9 tp10 -66.36 -51.44 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.33 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -48.99 -53.38 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.2 -21.85 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.44 ' HG3' ' CD1' ' A' ' 91' ' ' ILE . 20.4 mmt85 -78.29 146.22 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 122' ' ' VAL . 93.3 m -119.34 147.39 44.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.493 HD23 ' CG1' ' A' ' 122' ' ' VAL . 5.9 tp -96.02 109.38 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 120' ' ' VAL . 58.5 tp -117.22 117.56 29.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.57 152.79 25.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -134.83 147.73 50.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.673 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.6 t -124.6 121.41 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 57' ' ' TYR . 5.4 p -137.05 137.47 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.84 -47.26 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 -170.16 38.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -153.34 165.61 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 102' ' ' LEU . 44.2 t -139.5 130.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.0 p -115.53 148.26 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.493 ' CG1' HD23 ' A' ' 101' ' ' LEU . 4.2 p -161.63 117.56 1.32 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.07 15.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.584 HD22 HD21 ' A' ' 129' ' ' LEU . 12.3 mt -91.71 26.48 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.02 -38.59 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -84.7 -51.87 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.599 HG21 ' CH2' ' A' ' 135' ' ' TRP . 14.8 p -59.74 155.37 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG22 ' A' ' 127' ' ' VAL . 81.8 m-20 -91.63 112.18 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.584 HD21 HD22 ' A' ' 124' ' ' LEU . 19.7 mt -82.23 -52.75 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.666 HG22 HD11 ' A' ' 23' ' ' LEU . 90.7 t -37.8 -54.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -68.08 -54.19 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 140.36 154.89 6.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -126.24 137.38 10.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.498 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.6 t-160 -161.17 105.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CH2' HG21 ' A' ' 127' ' ' VAL . 35.5 p90 -152.81 177.81 10.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 12.2 m95 -119.05 132.84 56.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.413 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 34.7 mttt -128.35 161.48 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.73 126.15 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.673 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.0 mp -54.27 152.88 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.1 pt -125.45 150.53 68.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 93.6 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.818 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 mt -110.87 14.71 22.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 -169.07 35.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.516 ' HA ' HD12 ' A' ' 139' ' ' LEU . 24.6 mtp -133.82 166.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 16' ' ' HIS . 4.9 tp -143.08 137.68 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.3 t-160 -100.15 132.74 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -158.08 169.26 24.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 133' ' ' GLY . 2.1 p -152.05 123.6 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 133' ' ' GLY . 9.0 t -107.7 125.1 50.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 155.3 44.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -119.25 134.43 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 5.2 m-20 -103.74 115.16 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 26' ' ' ASN . 95.6 mt -70.71 -58.72 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LEU . 13.6 tp -37.4 -32.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.629 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 55.9 m80 -104.95 -24.11 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' LEU . 10.3 m-80 67.91 40.41 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.629 ' CD2' ' HB3' ' A' ' 25' ' ' HIS . 1.9 p80 -136.08 160.69 37.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -92.47 111.53 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.6 m -94.81 100.17 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 t -95.49 105.72 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' NH1' ' C ' ' A' ' 84' ' ' GLU . 8.4 tpp180 -84.47 126.05 32.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 HD11 ' A' ' 60' ' ' ILE . 21.3 t -101.04 113.11 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.609 HG22 ' N ' ' A' ' 34' ' ' GLU . 50.1 mt -98.08 164.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.609 ' N ' HG22 ' A' ' 33' ' ' ILE . 4.8 pt-20 -61.4 -178.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.91 -179.92 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -162.53 168.67 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.06 27.88 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 117' ' ' ILE . 25.0 mt -82.75 129.25 62.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.26 68.07 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.488 ' ND2' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.655 0.74 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.87 15.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 13.2 p90 -165.01 151.43 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 105' ' ' VAL . 53.1 t -99.1 153.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -125.87 156.96 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 32' ' ' VAL . 4.0 mt -134.55 158.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' N ' HG22 ' A' ' 60' ' ' ILE . 1.5 t -174.82 151.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 mt -115.4 97.4 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 82.6 mt -65.75 154.02 89.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 14.1 tppt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -145.4 159.97 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.621 HG22 ' OH ' ' A' ' 87' ' ' TYR . 58.3 p -113.76 136.12 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.06 151.33 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.2 m -81.06 137.79 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 3.7 mptt -84.89 165.21 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 78' ' ' THR . 31.4 mmt180 -76.22 165.64 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 2.4 ptpp? -32.57 111.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 76' ' ' ARG . 14.9 t -170.99 162.59 7.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -94.69 -26.7 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 14.6 pttp -123.95 100.9 36.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 53.9 Cg_endo -69.76 118.7 5.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -100.82 105.43 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' O ' ' CD ' ' A' ' 85' ' ' GLU . 40.0 m-85 -91.12 -62.63 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.496 ' C ' ' NH1' ' A' ' 31' ' ' ARG . 22.5 mt-10 54.22 39.38 30.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 83' ' ' PHE . 8.1 mp0 -115.26 148.22 39.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.32 147.06 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.621 ' OH ' HG22 ' A' ' 72' ' ' THR . 98.9 m-85 -134.86 156.43 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.6 p -128.53 159.83 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 88' ' ' THR . 44.7 m-85 -148.49 124.49 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -71.68 80.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -141.59 134.1 13.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 146.71 61.13 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 96' ' ' ALA . 14.9 t80 -50.68 -63.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' PHE . 66.5 mt -34.52 -43.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -73.26 -43.95 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -47.68 -45.64 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.47 -44.65 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.21 -21.31 63.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -92.1 152.37 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.9 m -116.52 147.13 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' HG ' HD11 ' A' ' 103' ' ' LEU . 47.3 tp -90.65 116.08 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.84 109.52 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.411 HD11 ' HG ' ' A' ' 101' ' ' LEU . 2.6 mp -105.34 133.77 49.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.7 m -125.91 134.96 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 58' ' ' VAL . 32.2 t -108.1 107.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 2.8 t -111.82 147.19 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.784 0.325 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.478 HG21 HD22 ' A' ' 38' ' ' LEU . 26.0 mm -59.71 -42.92 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.18 -174.06 46.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.595 ' HE3' HD11 ' A' ' 140' ' ' ILE . 42.7 pttt -145.77 156.26 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 37.5 t -136.93 114.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 p -99.87 148.98 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 122' ' ' VAL . 13.4 p -161.56 120.78 1.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.594 ' HB3' HD11 ' A' ' 129' ' ' LEU . 16.0 mt -85.07 22.76 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.47 -9.88 21.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.19 -37.23 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.696 HG21 ' CH2' ' A' ' 135' ' ' TRP . 12.6 p -80.49 117.99 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.07 82.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 124' ' ' LEU . 16.0 mt -50.26 -45.52 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.6 t -37.69 -57.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -70.41 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.33 6.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -120.03 137.78 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.414 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 14.1 t-160 -163.02 105.64 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.696 ' CH2' HG21 ' A' ' 127' ' ' VAL . 38.0 p90 -152.92 179.43 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.3 m95 -117.35 133.16 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -131.06 163.18 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.29 121.46 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.6 mp -54.37 154.22 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.595 HD11 ' HE3' ' A' ' 119' ' ' LYS . 4.5 pt -128.18 153.93 78.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.49 2.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.43 -44.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -153.51 22.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.564 ' HA ' HD12 ' A' ' 139' ' ' LEU . 38.4 mtp -146.16 148.17 32.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 35' ' ' ALA . 7.0 tp -128.58 131.15 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 1.2 t-80 -87.18 128.1 35.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -156.25 156.58 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -142.76 146.24 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -121.58 128.83 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -143.34 117.5 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 17.5 t80 -89.1 123.49 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.21 116.24 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.2 -42.76 62.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.35 -51.41 54.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 99.2 m-70 -93.1 -3.75 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 49.74 53.29 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -137.88 179.28 6.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 tp -111.89 109.86 19.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.46 102.99 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -107.39 105.41 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -99.07 120.92 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 72' ' ' THR . 92.1 t -82.25 107.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 34' ' ' GLU . 17.8 mt -83.69 167.6 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.604 ' N ' HG22 ' A' ' 33' ' ' ILE . 13.9 pt-20 -59.15 -178.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.53 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -157.8 177.27 11.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -166.5 173.04 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.68 37.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 117' ' ' ILE . 42.9 mt -99.68 136.67 20.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.89 66.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.4 m120 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.594 0.711 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -166.96 146.38 5.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 105' ' ' VAL . 58.6 t -101.61 145.0 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -112.86 158.6 19.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -131.41 141.87 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.5 p -157.97 135.21 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.8 mt -104.1 104.82 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 4.1 mm? -68.6 157.37 88.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.341 -0.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.683 0.278 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -147.03 149.41 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.561 HG21 HG21 ' A' ' 32' ' ' VAL . 3.8 p -96.86 159.49 14.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.68 164.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 87.3 t -90.42 149.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.05 169.4 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.9 mmt180 -124.93 105.12 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' ARG . 5.3 ptpt 31.28 55.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' A' ' 75' ' ' LYS . 1.9 t -129.83 112.43 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.17 -31.83 67.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -105.68 92.77 6.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.9 5.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 82' ' ' VAL . 2.7 p -123.29 88.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.579 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.1 m-85 -77.3 -39.24 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 42.48 35.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 8.5 tp10 -105.02 158.5 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 35.3 ptt180 -119.05 152.83 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -139.48 157.91 45.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 8.9 p -125.09 151.36 45.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' O ' HG22 ' A' ' 91' ' ' ILE . 34.7 m-85 -146.75 113.96 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.94 85.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 89' ' ' PHE . 3.6 tt -137.92 129.9 16.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.74 133.52 25.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 37.4 t80 -34.61 -59.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -35.91 -47.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -70.43 -53.33 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -49.89 -42.61 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -70.62 -36.91 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -63.37 157.98 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.1 m -127.61 114.26 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 124' ' ' LEU . 45.2 tp -58.32 97.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -111.48 110.19 20.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 102' ' ' LEU . 3.7 mp -103.92 144.01 32.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 m -130.86 109.12 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 58' ' ' VAL . 59.3 t -88.28 109.27 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -113.65 141.07 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.318 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.738 HG21 HD22 ' A' ' 38' ' ' LEU . 32.1 mm -82.01 -34.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.81 -178.49 35.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -147.78 156.53 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.64 141.33 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -127.61 120.16 27.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.719 HG22 ' HE3' ' A' ' 137' ' ' LYS . 48.4 t -137.33 123.46 13.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.76 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.598 ' HB3' HD21 ' A' ' 129' ' ' LEU . 6.9 mt -95.08 29.95 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.14 -51.17 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -82.33 -42.1 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.4 t -47.29 148.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -90.43 82.92 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.0 mt -60.28 -47.64 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' LEU . 92.6 t -34.03 -51.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -87.97 -72.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.28 177.02 44.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.54 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -144.87 66.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -86.81 110.64 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ2' HG11 ' A' ' 122' ' ' VAL . 10.5 p90 -153.13 179.72 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.6 m95 -128.22 120.8 27.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.719 ' HE3' HG22 ' A' ' 122' ' ' VAL . 20.8 mttm -120.32 159.18 25.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -93.66 150.18 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.4 mp -86.56 144.07 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.7 pt -115.08 152.4 46.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.775 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.22 -37.09 11.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.18 -162.0 28.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 mtp -149.58 136.73 19.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 35' ' ' ALA . 10.6 tp -119.91 143.17 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.3 t-160 -101.45 132.25 47.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 120' ' ' VAL . 15.4 p90 -158.94 162.96 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.0 p -147.06 133.87 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -114.55 119.83 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -138.02 117.8 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 11.3 t80 -88.08 128.65 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.46 128.48 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.57 -23.13 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.7 -50.86 55.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.416 ' CB ' ' CD2' ' A' ' 27' ' ' HIS . 94.3 m-70 -89.73 -18.92 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 69.09 47.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CD2' ' CB ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -142.16 172.71 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.433 ' CG2' ' HG3' ' A' ' 86' ' ' ARG . 2.1 m -113.28 111.71 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.8 102.87 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -88.97 107.65 19.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 HG21 ' A' ' 72' ' ' THR . 8.2 t -72.38 117.04 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 34' ' ' GLU . 51.3 mt -96.78 164.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.623 ' N ' HG22 ' A' ' 33' ' ' ILE . 13.0 pt-20 -61.62 174.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -142.29 -179.6 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -163.99 170.48 16.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.09 53.34 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 mt -109.25 140.19 21.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.48 19.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.825 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 163.25 39.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 1.7 p90 -166.36 133.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 59' ' ' LYS . 57.8 t -94.66 158.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' N ' HG12 ' A' ' 58' ' ' VAL . 20.0 mtpp -126.4 160.89 29.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -134.82 134.28 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 t -152.58 144.62 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -104.34 95.2 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.5 mt -61.52 154.35 65.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.342 -0.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.96 135.71 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.653 HG21 HG11 ' A' ' 32' ' ' VAL . 53.3 p -61.08 -69.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.77 136.01 1.92 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 55' ' ' ASN . 10.9 p -72.45 117.69 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.2 169.46 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 23.6 mmt85 -75.82 165.59 24.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.8 mtmm -31.85 116.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 76' ' ' ARG . 8.8 t -166.3 147.92 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -89.23 -34.47 16.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -110.69 92.54 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 107.22 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.39 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.98 127.71 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.403 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -117.25 -42.0 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 48.5 45.22 21.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -104.1 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 29' ' ' THR . 25.7 ttp180 -127.29 129.81 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -119.83 151.01 39.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -132.09 129.2 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.81 86.95 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 tt -146.29 132.92 9.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.192 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.78 130.46 19.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 17.2 t80 -34.74 -59.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -35.06 -55.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.2 -45.19 92.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.18 -40.88 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -55.93 -45.29 78.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -80.1 -8.9 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -91.49 146.89 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 122' ' ' VAL . 23.7 m -113.48 139.63 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' A' ' 103' ' ' LEU . 17.8 tp -88.66 103.32 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 102' ' ' LEU . 1.1 tm? -104.32 123.92 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -124.25 109.04 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.4 m -91.27 144.95 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.538 HG21 HD21 ' A' ' 139' ' ' LEU . 48.3 t -119.96 103.34 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 107' ' ' ASP . 6.1 t -104.97 159.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.2 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 116' ' ' VAL . 14.4 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mt -78.75 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -171.23 -165.54 28.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -158.11 164.63 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 103' ' ' LEU . 54.0 t -135.78 111.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.421 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 4.7 p -108.66 141.09 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.436 ' C ' HG23 ' A' ' 100' ' ' THR . 7.3 p -154.21 124.39 3.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 127.13 14.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.6 mt -84.86 21.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.55 -54.53 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.91 -46.54 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.1 t -46.38 151.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -95.69 80.07 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 130' ' ' VAL . 23.6 mt -51.75 -55.21 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 129' ' ' LEU . 14.6 t -35.33 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -86.03 -66.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.96 172.63 27.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.595 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -135.87 60.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.442 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -83.68 102.76 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.3 p90 -152.41 178.66 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.3 m95 -123.27 129.5 51.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.467 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 33.6 mttt -125.26 165.22 18.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -105.12 132.43 51.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 105' ' ' VAL . 4.7 mp -59.54 137.12 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.0 pt -108.73 152.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.19 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 117' ' ' ILE . 21.1 mt -52.94 -56.01 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.96 -165.42 36.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mtp -140.15 157.62 45.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 tp -142.62 129.38 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 5.0 t-160 -89.19 130.46 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -155.01 164.96 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 p -145.3 129.05 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' THR . 5.2 t -111.5 115.32 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -139.74 133.23 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -99.66 135.47 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.38 113.35 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.89 -41.44 78.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.32 -40.49 64.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.637 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 36.0 m80 -100.52 -2.37 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 4.3 p-10 46.79 44.44 14.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.637 ' CD2' ' HB3' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -138.03 170.18 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -99.2 119.97 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -97.15 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.01 102.66 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -99.96 123.62 44.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.72 109.17 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.624 HG22 ' N ' ' A' ' 34' ' ' GLU . 29.3 mt -86.6 166.91 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.624 ' N ' HG22 ' A' ' 33' ' ' ILE . 6.9 pt-20 -59.24 161.87 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.46 -179.83 5.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -166.1 175.9 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 63.85 35.86 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 81' ' ' PRO . 90.3 mt -99.65 131.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.0 22.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.409 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 12.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.81 48.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 40.2 p90 -144.8 146.33 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 105' ' ' VAL . 70.8 t -99.59 140.6 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -109.12 150.82 27.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.81 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.8 p -165.54 168.59 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 143.76 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 58.3 mt -120.29 155.33 56.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.383 -0.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 2.0 tpmt? . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -151.21 156.42 40.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.2 p -103.81 130.15 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.22 154.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.9 m -75.08 128.21 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 34.8 mmtt -81.35 167.07 19.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' LYS . 17.6 mmm-85 -77.4 165.58 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -31.6 120.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -174.16 153.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.88 -29.04 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -134.67 108.36 10.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.669 ' HD2' HD12 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 135.81 31.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 34' ' ' GLU . 2.3 p -134.7 93.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -90.36 -45.5 8.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 49.8 42.4 23.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.88 160.53 14.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 87' ' ' TYR . 20.2 ttm180 -110.06 151.84 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.437 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 76.4 m-85 -142.32 162.02 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 p -139.22 145.47 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -134.62 127.67 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.62 81.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.9 tt -140.03 132.1 14.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.84 130.87 19.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 73.7 t80 -37.2 -57.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -36.33 -55.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.13 -50.26 55.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.517 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -39.32 -48.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.535 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 76.4 mt-30 -55.17 -42.66 73.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.63 -5.68 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -101.37 155.7 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.619 HG23 ' C ' ' A' ' 122' ' ' VAL . 96.1 m -119.43 133.47 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 103' ' ' LEU . 11.0 tp -81.08 98.53 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.9 tp -103.17 128.0 50.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 102' ' ' LEU . 2.9 mp -121.47 150.93 40.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 m -141.29 131.38 24.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 58' ' ' VAL . 57.8 t -107.52 102.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.446 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.0 t -102.45 158.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.712 ' O ' HD13 ' A' ' 12' ' ' LEU . 52.0 mt -44.78 -41.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.46 -177.89 48.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -151.44 164.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.2 t -145.22 109.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -106.5 133.91 50.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.619 ' C ' HG23 ' A' ' 100' ' ' THR . 7.7 p -136.68 123.26 13.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 37.4 mt -95.29 19.22 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 24.4 p -103.2 -5.57 23.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -116.83 -22.12 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.0 p -103.47 140.43 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.6 115.23 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 132' ' ' GLY . 11.6 mt -73.6 -55.88 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.5 m -41.46 -37.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -73.75 -33.35 64.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 106.06 134.07 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.44 138.95 14.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -163.85 105.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.475 ' NE1' ' HE2' ' A' ' 137' ' ' LYS . 41.4 p90 -153.22 173.3 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.582 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 10.6 m95 -110.4 138.93 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.475 ' HE2' ' NE1' ' A' ' 135' ' ' TRP . 16.2 mttm -135.2 162.8 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.12 124.7 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.546 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.2 mp -56.87 133.98 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.1 pt -106.42 151.21 40.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 109.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.821 0.344 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.87 -57.08 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.83 -158.34 28.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtp -142.89 148.07 36.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 35' ' ' ALA . 13.6 tp -126.72 136.06 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -96.26 132.4 41.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -156.91 154.95 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 p -135.1 126.54 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.575 ' HB ' HD22 ' A' ' 101' ' ' LEU . 6.1 t -108.95 119.09 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -137.77 129.44 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 19.4 t80 -102.15 133.25 47.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 6.8 t0 -91.03 132.72 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 HG12 ' A' ' 130' ' ' VAL . 3.4 mm? -88.84 -28.37 20.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -46.7 81.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -95.65 -13.0 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 60.7 48.77 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.9 p-80 -136.24 177.17 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -105.78 116.87 32.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 m -100.26 98.45 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.56 106.45 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -97.33 106.35 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.562 HG11 HG21 ' A' ' 72' ' ' THR . 65.4 t -73.08 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 34' ' ' GLU . 48.0 mt -116.26 165.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.633 ' N ' HG22 ' A' ' 33' ' ' ILE . 9.3 pt-20 -58.46 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.26 -179.41 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 4.1 ptp180 -161.88 167.1 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.22 36.87 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.668 HD12 ' CD ' ' A' ' 81' ' ' PRO . 90.7 mt -100.79 132.43 22.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 141.29 44.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 74' ' ' VAL . 28.7 p30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 46.9 p90 -171.88 133.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 105' ' ' VAL . 42.3 t -94.19 134.77 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' C ' HG13 ' A' ' 60' ' ' ILE . 20.3 mtpp -103.88 163.95 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 59' ' ' LYS . 7.4 mt -136.97 137.4 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.89 136.24 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -88.32 96.28 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.8 mm? -71.9 156.44 90.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.328 -0.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.684 0.278 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -147.96 161.52 41.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.562 HG21 HG11 ' A' ' 32' ' ' VAL . 44.3 p -96.58 -0.74 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.57 173.09 44.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 55' ' ' ASN . 11.3 p -104.42 130.0 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -95.45 164.08 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.6 mpt_? -76.63 165.85 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ARG . 16.8 ttpt -30.26 116.48 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -171.62 145.48 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -87.22 -16.13 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' O ' ' CD ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -125.76 106.66 26.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.668 ' CD ' HD12 ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.79 107.31 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 34' ' ' GLU . 7.7 p -120.04 118.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CE2' ' OG1' ' A' ' 72' ' ' THR . 0.1 OUTLIER -115.7 -44.93 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.51 51.88 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -107.39 172.79 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -130.73 128.44 40.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.61 155.79 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 p -125.86 149.28 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.6 m-85 -141.21 130.33 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -79.21 90.54 4.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.53 132.29 8.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 131.9 22.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' PRO . 59.6 t80 -35.96 -55.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PHE . 25.1 mt -36.62 -54.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.461 ' CG ' ' NH1' ' A' ' 99' ' ' ARG . 27.0 tt0 -64.14 -44.86 90.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.17 -46.96 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -59.7 -33.52 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 95' ' ' GLU . 37.0 mtp180 -78.44 -32.83 48.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.461 ' NH1' ' CG ' ' A' ' 95' ' ' GLU . 46.6 mmt-85 -80.69 169.39 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.2 m -128.83 151.53 49.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.575 HD22 ' HB ' ' A' ' 19' ' ' THR . 10.7 tp -99.44 101.79 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 121' ' ' SER . 13.9 tp -111.2 139.04 46.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mp -131.92 102.67 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.462 ' CG2' HG23 ' A' ' 116' ' ' VAL . 92.9 m -89.5 126.61 35.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 58' ' ' VAL . 54.6 t -94.87 102.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.478 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 6.2 t -114.82 141.81 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 104' ' ' THR . 2.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.0 mt -78.49 -39.94 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.66 -178.82 45.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -145.23 140.3 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 102' ' ' LEU . 40.8 t -121.45 117.72 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.455 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 29.1 p -107.52 152.26 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.558 HG21 ' HZ2' ' A' ' 135' ' ' TRP . 1.3 p -158.84 121.46 1.98 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.11 12.96 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.74 2.293 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.419 HD22 HD21 ' A' ' 129' ' ' LEU . 25.7 mt -84.77 21.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.3 m -85.0 -51.72 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -74.84 -51.2 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.414 HG21 ' CH2' ' A' ' 135' ' ' TRP . 75.0 t -53.81 145.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.75 81.38 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.419 HD21 HD22 ' A' ' 124' ' ' LEU . 13.9 mt -45.38 -51.4 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.513 HG12 HD21 ' A' ' 23' ' ' LEU . 31.1 m -51.01 -35.72 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -88.08 -10.0 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.54 160.52 34.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -137.87 140.26 11.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.438 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.1 t-160 -164.92 108.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.558 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 39.1 p90 -153.11 178.2 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.537 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 14.3 m95 -120.26 129.17 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.426 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 12.3 mttm -125.05 173.2 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.93 137.33 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.84 153.88 43.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.3 pt -132.42 153.34 81.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 111.137 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.808 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.07 -29.74 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.13 -160.75 22.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.414 ' HA ' HD12 ' A' ' 139' ' ' LEU . 49.8 mtp -141.71 156.89 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 tp -135.89 133.23 37.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.742 ' ND1' HG21 ' A' ' 33' ' ' ILE . 9.6 t-160 -89.26 125.79 35.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.64 ' CZ ' HG11 ' A' ' 120' ' ' VAL . 27.2 p90 -157.67 154.02 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.588 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 3.2 p -141.05 141.91 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 19' ' ' THR . 8.9 t -117.21 110.37 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -127.8 154.01 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -122.31 126.84 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.66 109.15 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.547 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.8 mm? -69.36 -33.27 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.06 -45.19 89.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.39 -11.75 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -139.49 167.74 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -94.14 126.05 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -112.65 105.58 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -106.03 103.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -90.24 109.26 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -73.08 111.62 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.742 HG21 ' ND1' ' A' ' 16' ' ' HIS . 41.3 mt -91.13 165.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.612 ' N ' HG22 ' A' ' 33' ' ' ILE . 7.2 pt-20 -60.38 -174.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.56 -179.25 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NE ' ' CH2' ' A' ' 136' ' ' TRP . 21.5 ptt180 -163.83 175.39 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.42 35.7 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.97 123.17 61.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.78 67.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.445 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 84.0 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.48 40.48 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.361 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -148.6 142.8 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.56 141.88 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -116.04 155.66 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -129.14 135.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.32 139.59 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.611 HD13 HH21 ' A' ' 99' ' ' ARG . 69.9 mt -99.41 144.0 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 64.5 mt -121.75 155.06 60.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 -0.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.1 156.4 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -90.95 145.53 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.65 157.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 39.5 t -72.66 124.83 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -89.96 163.24 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 78' ' ' THR . 26.2 mmt180 -95.79 165.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' ARG . 24.1 ttpt -33.85 107.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 76' ' ' ARG . 12.1 t -167.94 150.83 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -89.17 -43.11 11.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -104.57 92.65 5.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.77 127.5 14.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.19 106.59 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.9 m-85 -100.71 -51.55 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 49.56 48.34 21.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -108.52 148.8 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.01 138.7 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -127.6 161.05 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.576 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.2 p -133.61 148.13 51.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.2 m-85 -142.1 115.38 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -66.57 93.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -146.29 133.04 9.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.9 Cg_endo -69.77 124.89 11.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' LEU . 17.5 t80 -34.49 -61.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' PHE . 77.8 mt -34.28 -45.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -76.08 -50.89 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.569 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -41.36 -30.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -67.44 -44.43 78.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -81.59 12.9 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.611 HH21 HD13 ' A' ' 62' ' ' LEU . 7.7 mmm180 -103.71 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.8 m -139.27 137.94 36.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HB3' HG13 ' A' ' 122' ' ' VAL . 13.0 tp -91.02 115.88 28.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.498 HD23 ' CB ' ' A' ' 121' ' ' SER . 1.4 tm? -122.87 120.78 34.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.459 HD11 ' CG ' ' A' ' 101' ' ' LEU . 2.4 mp -120.24 125.17 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -108.54 147.93 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.1 t -124.02 111.8 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.55 159.28 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.87 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.8 mt -79.75 -30.95 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.01 173.19 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -144.26 152.24 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.64 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 79.4 t -128.7 119.22 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.498 ' CB ' HD23 ' A' ' 102' ' ' LEU . 3.9 p -113.93 133.3 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -144.21 125.76 8.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 111.143 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 138.58 38.11 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 mt -102.32 18.65 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.6 t -74.96 -26.7 59.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.47 -36.81 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.449 HG11 ' CG2' ' A' ' 19' ' ' THR . 23.3 t -37.89 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.75 99.2 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 79.2 mt -84.56 -42.67 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.427 HG12 HD11 ' A' ' 23' ' ' LEU . 27.6 m -69.98 -24.89 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -105.99 -11.73 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.59 164.7 33.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.453 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -139.28 76.69 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 4.0 m80 -94.11 113.24 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.313 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.465 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 12.3 p90 -153.56 179.21 9.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.618 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.2 m95 -130.6 117.69 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -112.72 164.22 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.35 128.39 48.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.2 mp -59.88 137.21 58.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.9 pt -110.49 150.1 41.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 117' ' ' ILE . 42.3 mt -94.61 -33.36 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.83 -148.35 17.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.471 ' HE3' ' HB2' ' A' ' 138' ' ' ALA . 48.6 mtp -153.15 136.16 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.3 136.63 49.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.666 ' ND1' HG21 ' A' ' 33' ' ' ILE . 7.5 t-160 -97.44 132.72 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD2' HD21 ' A' ' 101' ' ' LEU . 33.5 p90 -158.17 158.09 33.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -141.39 129.72 22.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -110.99 117.27 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -138.79 124.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.0 t80 -98.6 128.69 45.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.5 m-20 -95.65 126.28 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.01 -31.51 30.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -50.68 -43.11 57.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -116.44 15.18 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 40.3 49.54 2.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.7 p-80 -131.61 163.29 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.29 115.28 29.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -94.34 96.9 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -101.78 103.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -92.03 102.14 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 60' ' ' ILE . 48.6 t -66.82 103.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.666 HG21 ' ND1' ' A' ' 16' ' ' HIS . 28.2 mt -78.04 166.74 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.779 ' HB2' HG22 ' A' ' 82' ' ' VAL . 12.1 pt-20 -69.52 -175.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.59 177.04 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -166.48 163.55 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 70.71 47.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.916 HD22 HG21 ' A' ' 117' ' ' ILE . 42.0 mt -98.56 149.5 35.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.957 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 117' ' ' ILE . 53.6 Cg_endo -69.79 129.89 18.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.735 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.609 0.718 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.32 21.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 27.5 p90 -166.99 132.96 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -99.86 142.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -113.8 164.09 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 32' ' ' VAL . 5.0 mt -134.6 113.06 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.7 m -122.96 139.33 54.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 mt -107.78 91.73 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 79.8 mt -57.88 152.82 36.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.362 -0.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.2 tppt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.446 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 8.9 tt0 -137.42 145.88 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.8 p -84.66 -58.82 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.87 -175.24 45.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 84.2 t -108.2 121.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 16.4 mmtp -80.63 168.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 21.2 mmt85 -118.97 109.68 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.9 mttp 35.39 55.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -115.23 137.14 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD3' HG23 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -129.58 107.94 17.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.55 0.69 . . . . 0.0 110.908 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.593 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.8 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 34' ' ' GLU . 87.2 t -101.35 72.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 74.7 m-85 -69.44 -50.89 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 51.4 41.69 28.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -108.62 147.95 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.25 150.66 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.87 150.43 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.0 p -124.16 157.37 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.634 ' O ' HG22 ' A' ' 91' ' ' ILE . 58.7 m-85 -148.54 112.78 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.59 82.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.6 tt -136.39 132.2 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' LEU . 54.3 t80 -39.02 -60.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -34.8 -47.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.47 -45.17 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.14 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -56.59 -41.09 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -70.99 -43.82 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.8 169.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 122' ' ' VAL . 89.8 m -138.46 139.27 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 ' CD2' ' A' ' 17' ' ' PHE . 17.8 tp -81.74 113.07 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 111.99 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mp -108.17 128.08 54.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 106' ' ' VAL . 54.2 m -117.64 130.47 56.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.12 102.41 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 16.9 t -110.95 135.44 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.916 HG21 HD22 ' A' ' 38' ' ' LEU . 28.1 mm -40.08 -55.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.77 -173.83 42.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.63 159.94 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 72.3 t -140.72 133.6 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 p -118.3 150.58 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 100' ' ' THR . 10.9 p -165.08 121.71 1.06 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.46 ' O ' HG23 ' A' ' 127' ' ' VAL . 54.0 Cg_endo -69.74 116.77 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.382 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.595 HD22 HD21 ' A' ' 129' ' ' LEU . 12.6 mt -67.04 -26.93 67.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 126' ' ' GLU . 12.8 p -47.66 -44.73 27.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 127' ' ' VAL . 19.1 pt-20 -85.87 -45.56 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 19' ' ' THR . 79.3 t -45.6 156.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 127' ' ' VAL . 9.5 m-20 -97.7 88.73 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 124' ' ' LEU . 22.0 mt -69.48 -51.03 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.01 -54.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.68 -45.88 60.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 126.95 150.97 7.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.45 125.79 5.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -151.31 107.56 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 137' ' ' LYS . 45.0 p90 -153.09 179.2 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.552 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.9 m95 -121.71 114.66 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 22.4 mttt -109.02 168.86 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . 0.471 ' HB2' ' HE3' ' A' ' 14' ' ' MET . . . -111.28 119.36 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 139' ' ' LEU . 5.4 mp -48.74 164.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.1 pt -137.1 152.23 73.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.844 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD22 ' O ' ' A' ' 117' ' ' ILE . 59.0 mt -68.03 -42.38 80.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.36 -158.23 23.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.429 ' HA ' HD12 ' A' ' 139' ' ' LEU . 63.4 mtp -140.13 146.62 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 35' ' ' ALA . 15.4 tp -123.86 139.86 53.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.4 t-160 -98.03 133.21 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.87 154.74 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -134.77 120.39 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' THR . 9.8 t -100.64 113.14 25.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -135.96 131.73 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 10.9 t80 -103.41 138.65 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.7 m-20 -107.17 132.5 52.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -86.52 -37.94 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 24' ' ' LEU . 2.4 tm? -43.09 -42.85 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -113.31 -0.34 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.3 43.89 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -126.74 168.46 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' HG23 ' A' ' 30' ' ' VAL . 35.5 tp -97.78 113.92 25.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 m -92.2 98.26 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG23 ' HG ' ' A' ' 28' ' ' LEU . 96.4 t -108.76 105.48 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -95.74 116.16 28.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.35 112.24 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 34' ' ' GLU . 33.3 mt -90.73 164.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.632 ' HB3' HG23 ' A' ' 82' ' ' VAL . 16.9 pt-20 -62.13 -177.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -151.73 -179.15 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -164.06 160.92 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 73.14 42.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 117' ' ' ILE . 24.8 mt -100.72 135.9 19.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.625 0.726 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.41 63.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 48.6 p90 -154.33 152.89 30.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.8 144.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' HG13 ' A' ' 60' ' ' ILE . 5.3 mtmp? -111.05 162.22 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.441 HG13 ' C ' ' A' ' 59' ' ' LYS . 5.1 mt -138.18 113.07 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.1 m -125.99 136.87 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.5 mt -105.05 91.64 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 33.2 mt -62.87 155.01 73.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.552 0.692 . . . . 0.0 110.947 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.404 -0.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.598 ' HE3' ' CD2' ' A' ' 87' ' ' TYR . 10.9 tptp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.474 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.0 pt20 -143.41 142.11 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.582 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 67.2 p -81.31 -178.07 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.36 -156.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.85 143.0 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -115.3 157.1 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LYS . 1.6 mpt_? -76.21 163.53 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.3 pmtp? -29.35 130.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -176.7 163.44 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -99.33 -42.16 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -110.5 106.49 57.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.476 ' CD ' HD12 ' A' ' 38' ' ' LEU . 53.5 Cg_endo -69.82 122.76 9.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 34' ' ' GLU . 2.0 p -137.85 107.07 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -106.83 -46.18 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 58.22 49.63 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -107.66 153.18 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -103.79 134.98 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.598 ' CD2' ' HE3' ' A' ' 70' ' ' LYS . 68.3 m-85 -126.88 155.73 42.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 p -131.8 153.44 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 88' ' ' THR . 26.7 m-85 -144.0 128.66 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.11 83.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.5 tt -137.16 132.2 17.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.59 28.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 41.8 t80 -38.71 -64.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' H ' ' CD1' ' A' ' 94' ' ' LEU . 9.4 mp -36.03 -44.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.6 -49.07 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -43.21 -44.95 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -60.25 -47.75 84.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -65.98 -31.22 72.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -78.53 157.71 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 122' ' ' VAL . 27.2 m -121.13 143.64 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.5 ' CD2' HD11 ' A' ' 103' ' ' LEU . 21.8 tp -86.89 108.98 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -115.37 106.35 13.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 101' ' ' LEU . 3.2 mp -101.8 117.11 34.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.4 m -107.8 123.75 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.72 111.05 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 57.4 t -113.7 150.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.661 HG21 HD22 ' A' ' 38' ' ' LEU . 5.5 mm -64.42 -39.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 166.53 170.23 31.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 102' ' ' LEU . 35.9 pttt -136.13 146.87 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.0 t -128.98 120.24 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.484 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 60.4 p -110.19 152.36 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 100' ' ' THR . 3.1 p -163.81 127.78 1.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 125.46 12.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.485 ' HB3' HD21 ' A' ' 129' ' ' LEU . 6.3 mt -87.35 26.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.14 -48.61 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -85.7 -43.34 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.734 HG11 ' HH2' ' A' ' 135' ' ' TRP . 73.8 t -53.97 134.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.59 105.01 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 124' ' ' LEU . 10.2 mt -74.47 -72.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -38.33 -42.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.814 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.518 ' HD2' HG23 ' A' ' 130' ' ' VAL . 5.4 mptt -71.75 -40.1 69.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 115.79 136.27 5.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.72 136.23 12.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.51 ' NE2' HD13 ' A' ' 33' ' ' ILE . 11.0 t-160 -155.69 109.33 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.734 ' HH2' HG11 ' A' ' 127' ' ' VAL . 40.8 p90 -151.8 178.1 9.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.571 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 21.2 m95 -120.92 123.95 43.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -119.04 167.95 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.95 113.49 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' ' 139' ' ' LEU . 5.8 mp -45.09 152.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.7 pt -124.59 151.83 67.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.644 0.735 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.69 2.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.897 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.95 -39.43 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.47 -157.71 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.483 ' HE3' ' C ' ' A' ' 137' ' ' LYS . 30.8 mtp -147.0 150.55 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -128.44 136.87 51.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.598 ' ND1' HG21 ' A' ' 33' ' ' ILE . 4.5 t-160 -96.42 131.52 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -157.43 159.12 37.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.2 p -138.77 121.7 16.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 19' ' ' THR . 9.0 t -104.19 115.22 30.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -139.5 126.43 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -92.98 126.79 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 8.4 m-20 -82.7 121.3 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.626 HD11 HG12 ' A' ' 130' ' ' VAL . 3.1 mm? -82.34 -27.57 32.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -70.38 -52.0 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.4 m80 -86.26 -2.79 58.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 50.81 50.19 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.7 p-80 -145.83 170.46 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -96.74 114.2 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -95.08 99.42 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -104.23 104.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -97.88 122.3 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.57 126.93 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 34' ' ' GLU . 25.1 mt -105.39 165.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.633 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.4 pt-20 -64.57 161.9 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.7 -179.32 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -164.91 167.06 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 71.56 33.12 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.27 141.67 23.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.62 19.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.439 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.2 m-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.702 0.763 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.39 16.65 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -172.21 134.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 105' ' ' VAL . 93.8 t -94.14 137.89 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -102.97 159.35 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.31 144.16 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.0 t -169.67 163.36 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 mt -123.19 96.69 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 46.1 mt -58.81 155.68 29.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.358 -0.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.734 0.302 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -163.87 132.35 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.4 p -66.73 150.69 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.11 160.28 27.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 88.6 t -74.85 126.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -89.0 169.15 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' LYS . 19.4 mmm180 -85.76 161.8 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ARG . 13.1 mptt -37.08 114.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -175.24 159.62 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -91.3 -45.0 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 20.1 mttp -102.7 105.38 44.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.79 136.5 33.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 34' ' ' GLU . 93.8 t -134.43 95.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -96.36 -59.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 60.86 39.89 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 6.4 tp10 -103.19 153.34 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 43.2 ttp180 -104.24 148.33 26.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -137.31 154.47 50.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 3.3 p -128.7 163.95 24.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 88' ' ' THR . 65.5 m-85 -157.74 126.77 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -72.99 82.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -137.56 132.34 17.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.51 28.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 77.4 t80 -39.22 -45.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.4 -52.17 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 99' ' ' ARG . 16.5 tt0 -64.09 -54.78 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.38 -45.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.595 ' OE1' ' CD2' ' A' ' 93' ' ' PHE . 31.0 mt-30 -53.28 -57.34 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.43 -26.62 66.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.42 ' CG ' ' HG2' ' A' ' 95' ' ' GLU . 21.5 mmt85 -73.15 139.98 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -106.75 124.47 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.663 ' HG ' HD11 ' A' ' 103' ' ' LEU . 67.2 tp -65.96 115.86 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 120' ' ' VAL . 0.6 OUTLIER -117.32 122.11 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.663 HD11 ' HG ' ' A' ' 101' ' ' LEU . 1.1 mp -127.98 101.2 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -99.62 129.9 45.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 58' ' ' VAL . 76.9 t -98.66 103.51 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.07 133.54 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 mt -44.38 -60.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.0 -179.43 38.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -152.69 153.73 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.47 ' O ' HD22 ' A' ' 102' ' ' LEU . 63.9 t -123.94 132.84 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.456 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 73.7 p -129.19 116.94 19.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.56 HG22 ' HE3' ' A' ' 137' ' ' LYS . 37.8 t -131.33 126.9 21.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.72 13.67 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 101' ' ' LEU . 8.0 mt -96.37 26.15 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.75 -12.56 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -125.54 -33.85 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.777 HG11 ' HH2' ' A' ' 135' ' ' TRP . 88.9 t -56.11 137.12 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.77 90.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 124' ' ' LEU . 46.4 mt -74.58 -66.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.626 HG12 HD11 ' A' ' 23' ' ' LEU . 8.5 m -40.24 -41.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -82.44 -29.06 30.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 114.42 161.32 13.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.96 132.85 6.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -153.75 109.24 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.777 ' HH2' HG11 ' A' ' 127' ' ' VAL . 42.8 p90 -152.89 179.35 8.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.9 m95 -122.0 122.28 38.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 122' ' ' VAL . 12.3 mttm -117.93 176.56 5.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.2 142.19 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.31 140.71 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.0 pt -113.73 151.0 44.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.689 0.757 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.32 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -94.38 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.12 -157.85 27.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.6 mtp -149.77 144.01 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 35' ' ' ALA . 13.6 tp -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.617 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 12.8 t-160 -93.76 127.62 39.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -159.37 172.39 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.9 p -150.31 132.92 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.453 ' HB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t -105.76 116.47 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -139.65 119.81 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -91.48 134.37 34.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 m-20 -99.2 129.92 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD21 HG22 ' A' ' 130' ' ' VAL . 3.8 mm? -85.63 -39.98 16.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -42.58 -43.47 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 11.7 m80 -111.67 -7.71 14.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 62.35 37.72 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -118.38 169.35 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -101.99 116.63 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.77 97.95 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.82 102.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -92.33 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.8 t -84.38 102.72 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 34' ' ' GLU . 11.7 mt -80.64 164.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.576 ' N ' HG22 ' A' ' 33' ' ' ILE . 6.2 pt-20 -54.4 173.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.725 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -149.31 176.09 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -157.5 172.03 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 70.93 41.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.32 129.42 29.28 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.18 69.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.551 ' HB3' HG13 ' A' ' 74' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.1 Cg_endo -69.8 135.64 30.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -152.27 136.27 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 105' ' ' VAL . 58.8 t -97.87 139.87 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' HG13 ' A' ' 60' ' ' ILE . 14.3 mtpp -99.31 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' LYS . 10.6 mt -137.88 118.24 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -133.82 132.31 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.19 91.67 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 26.4 mt -58.83 154.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.341 -0.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ILE . 8.0 tppt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.672 0.272 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.9 pt20 -129.7 150.79 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -83.47 166.7 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.31 -170.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' A' ' 55' ' ' ASN . 92.7 t -124.58 122.48 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -106.93 169.3 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' LYS . 55.6 mmm-85 -76.28 156.53 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' ARG . 15.2 pttt -36.48 115.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 78' ' ' THR . 12.3 t -163.68 117.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -45.64 -55.41 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 4.0 mptt -99.74 100.23 10.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.75 154.5 67.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.1 t -131.43 92.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 20.1 m-85 -98.6 -51.71 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER 33.57 47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -102.28 168.39 9.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -136.0 151.84 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 p -128.0 148.59 50.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -141.12 123.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -71.46 94.81 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 1.5 tt -154.19 133.04 7.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 139.21 39.68 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.478 ' O ' ' C ' ' A' ' 94' ' ' LEU . 31.5 t80 -37.39 -64.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' PHE . 8.6 mp -31.93 -54.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE2' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -61.42 -52.46 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.58 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -47.71 -41.49 22.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -71.75 -35.33 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 95' ' ' GLU . 18.2 mmt85 -74.39 150.78 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 122' ' ' VAL . 41.6 m -116.87 131.93 56.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' HD11 ' A' ' 124' ' ' LEU . 11.2 tp -78.94 105.03 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 119' ' ' LYS . 3.9 tt -121.48 124.88 45.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.467 HD11 HD11 ' A' ' 101' ' ' LEU . 4.5 mp -115.45 114.68 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.9 m -101.33 111.51 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 58' ' ' VAL . 47.4 t -80.49 110.69 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.36 142.42 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 58.5 mt -50.18 -52.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -179.19 178.93 48.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.694 ' HB2' HD21 ' A' ' 102' ' ' LEU . 9.2 pttp -142.77 160.37 40.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.6 t -134.47 100.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.466 ' HB3' HD12 ' A' ' 102' ' ' LEU . 90.3 p -96.35 143.33 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 100' ' ' THR . 14.4 p -152.23 130.17 6.04 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.746 2.297 . . . . 0.0 112.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.792 ' O ' HD11 ' A' ' 129' ' ' LEU . 11.1 mt -88.47 34.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.2 p -116.21 -22.8 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.84 -45.6 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.789 HG21 ' CH2' ' A' ' 135' ' ' TRP . 10.2 p -67.7 145.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.14 99.35 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 124' ' ' LEU . 10.2 mt -75.21 -52.6 10.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.504 HG22 HD21 ' A' ' 23' ' ' LEU . 87.8 t -47.13 -38.91 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -80.86 -68.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.02 165.81 18.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.629 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -145.22 61.22 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.6 t-80 -83.63 98.7 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.789 ' CH2' HG21 ' A' ' 127' ' ' VAL . 9.1 p90 -147.81 174.02 12.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.617 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.7 m95 -115.02 132.93 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.427 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.3 mttt -127.51 156.82 41.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.29 126.83 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.498 HD21 ' CG2' ' A' ' 105' ' ' VAL . 4.4 mp -56.24 157.3 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 5.9 pt -135.46 152.72 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.072 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -46.69 -52.34 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.26 -156.49 27.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.464 ' HA ' HD12 ' A' ' 139' ' ' LEU . 50.6 mtp -146.01 155.99 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 35' ' ' ALA . 17.2 tp -132.06 141.52 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.6 t-160 -98.28 129.13 45.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.37 168.42 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.39 139.74 20.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 19' ' ' THR . 9.5 t -116.9 114.92 24.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -134.44 126.16 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -96.63 131.53 43.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.47 127.7 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ASN . 3.7 mm? -81.27 -54.87 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.608 HD23 ' H ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -40.62 -44.65 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.608 ' H ' HD23 ' A' ' 24' ' ' LEU . 31.7 m170 -94.79 -10.55 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' LEU . 38.1 m-80 51.25 51.34 17.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -146.28 170.91 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.41 125.87 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.9 m -115.12 101.47 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -96.45 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.01 102.39 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 32' ' ' VAL . 35.9 m -71.62 125.54 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 34' ' ' GLU . 27.8 mt -108.77 165.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.629 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.3 pt-20 -58.43 -178.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.649 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.72 176.97 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -165.8 168.78 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.04 26.38 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.1 127.77 50.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 133.52 25.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.4 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 53.7 Cg_endo -69.7 172.77 11.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 28.0 p90 -166.27 132.91 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.755 HG22 HG22 ' A' ' 105' ' ' VAL . 70.8 t -101.1 160.33 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 58' ' ' VAL . 18.3 mtpp -126.35 163.82 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.1 mt -133.52 151.21 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 t -165.66 169.81 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.5 mt -125.81 100.0 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 35.8 mt -65.69 155.73 85.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.31 -0.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -148.63 132.74 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 83' ' ' PHE . 69.0 p -83.5 142.74 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -40.89 118.78 1.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.8 112.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -74.36 167.67 21.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -131.91 139.31 48.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mttp 59.31 52.74 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -159.96 140.27 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -89.55 -29.96 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.1 ptmt -107.99 94.35 12.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.556 0.694 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 54.3 Cg_endo -69.74 101.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 84' ' ' GLU . 2.3 p -101.46 95.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.519 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 1.4 m-85 -81.59 -42.65 19.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HG3' HG23 ' A' ' 82' ' ' VAL . 25.7 mt-10 43.0 49.36 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 10.3 tp10 -110.65 166.09 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 31.5 ttp180 -121.88 132.91 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -123.02 167.45 13.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.9 p -136.25 147.38 47.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 91' ' ' ILE . 20.8 m-85 -145.44 111.0 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.94 87.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.695 HD11 ' HG2' ' A' ' 95' ' ' GLU . 3.4 tt -134.4 131.37 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.3 Cg_endo -69.73 131.22 20.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 94' ' ' LEU . 71.1 t80 -34.63 -66.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -33.64 -48.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.695 ' HG2' HD11 ' A' ' 91' ' ' ILE . 31.1 tt0 -62.17 -51.25 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -37.77 -51.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -51.99 -50.4 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -65.23 -43.81 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 95' ' ' GLU . 23.6 mmt85 -70.29 153.95 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.523 HG23 ' C ' ' A' ' 122' ' ' VAL . 54.2 m -123.42 142.15 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 tp -91.1 113.92 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 119' ' ' LYS . 5.7 tt -130.01 121.18 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.5 144.22 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.2 m -123.54 119.16 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.755 HG22 HG22 ' A' ' 58' ' ' VAL . 55.5 t -97.08 123.77 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 116' ' ' VAL . 2.8 t -123.56 144.75 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.425 ' CG ' HD11 ' A' ' 117' ' ' ILE . 1.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 106' ' ' VAL . 26.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.336 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 107' ' ' ASP . 12.5 mm -75.91 -39.08 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.6 -178.42 43.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.684 ' HB2' HD21 ' A' ' 102' ' ' LEU . 52.6 pttt -139.31 145.56 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.29 104.1 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.51 151.27 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.523 ' C ' HG23 ' A' ' 100' ' ' THR . 7.4 p -158.05 127.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.635 0.731 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.71 11.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.581 HD22 HD21 ' A' ' 129' ' ' LEU . 6.1 mt -85.16 26.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.6 t -84.49 -52.24 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' VAL . 17.8 pt-20 -87.08 -45.29 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 126' ' ' GLU . 49.2 t -36.98 145.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 74.53 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.581 HD21 HD22 ' A' ' 124' ' ' LEU . 84.9 mt -55.99 -47.96 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.6 t -41.96 -39.2 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 -74.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.46 175.62 40.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.586 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -138.73 61.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.412 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t-160 -84.26 104.42 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.586 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.4 p90 -153.18 179.6 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.9 m95 -124.31 131.51 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 15.2 mttm -128.55 164.72 22.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.22 139.44 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 14' ' ' MET . 4.8 mp -74.05 149.97 40.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.3 pt -123.68 151.13 63.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 99.98 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.83 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 p -148.02 163.35 37.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -67.64 171.59 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.51 -163.75 12.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -135.98 125.49 25.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -154.59 118.44 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.2 -139.06 7.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -53.31 117.51 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -43.43 166.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -111.31 103.83 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -92.54 41.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.78 -47.57 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.86 -160.81 28.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.0 mtp -145.92 144.56 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -128.9 137.6 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.2 t-160 -94.18 134.65 36.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -159.25 152.76 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.7 p -132.66 128.2 36.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 19' ' ' THR . 14.2 t -109.83 115.08 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.5 136.43 36.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 3.9 t80 -106.38 130.32 54.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -90.3 120.25 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.022 HD21 HG12 ' A' ' 130' ' ' VAL . 3.8 mm? -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.02 -43.56 98.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 31.6 m170 -90.8 -15.43 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 60.26 45.33 11.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -143.47 168.0 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' HD21 ' A' ' 62' ' ' LEU . 34.8 tp -93.58 117.78 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 m -100.94 98.65 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.73 103.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -92.07 124.08 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 72' ' ' THR . 1.8 m -79.77 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 34' ' ' GLU . 18.8 mt -110.01 163.32 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 33' ' ' ILE . 7.7 pt-20 -61.17 -179.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.37 -179.15 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -163.71 170.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 64.81 43.62 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.53 135.46 19.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.75 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD2' HD13 ' A' ' 117' ' ' ILE . 53.7 Cg_endo -69.73 152.28 69.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 170.01 17.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 95.85 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.1 mm -130.75 148.91 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 t -98.71 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -89.38 -63.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -168.91 -179.3 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.14 121.34 2.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.463 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -50.72 -178.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.0 96.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.8 137.34 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.84 145.27 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 mtm 45.1 53.54 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.2 91.96 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -127.56 127.82 44.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 4.4 m -129.6 -176.21 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 3.5 p30 -107.1 84.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 54' ' ' SER . 53.6 Cg_endo -69.8 166.41 27.75 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 0.0 112.391 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 108' ' ' PHE . 37.7 p90 -158.5 155.1 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.39 140.74 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -107.08 164.09 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.97 154.21 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.99 154.67 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 28' ' ' LEU . 16.1 mt -120.48 95.84 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 8.8 mp -58.86 161.81 8.04 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo -69.79 -10.35 11.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.358 -0.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.32 112.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -120.64 31.4 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -104.74 -64.65 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -75.87 82.81 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -99.56 141.62 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -102.46 171.88 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.53 136.18 11.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.637 HG21 HG21 ' A' ' 32' ' ' VAL . 70.1 p -79.03 159.94 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.13 172.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 69.7 t -101.61 118.26 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -83.89 168.14 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.4 mmt85 -83.22 164.98 19.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.481 ' HE2' ' N ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -34.23 110.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -165.05 150.24 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -84.96 -39.11 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -101.92 99.8 13.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.94 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.54 127.4 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -41.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 55.74 46.07 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 32' ' ' VAL . 7.8 tp10 -104.23 152.68 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -107.23 150.75 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.68 160.7 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.565 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 5.1 p -130.13 155.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.609 ' O ' HG22 ' A' ' 91' ' ' ILE . 50.1 m-85 -154.11 110.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.0 95.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.9 tt -141.39 132.32 13.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.71 126.84 13.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' PRO . 55.2 t80 -34.45 -61.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' PHE . 37.7 mt -34.13 -50.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.87 -48.7 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.02 -54.47 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -50.04 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -76.61 -34.21 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -72.16 165.82 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.449 HG23 ' C ' ' A' ' 122' ' ' VAL . 45.2 m -133.35 137.62 45.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.595 HD22 ' HB ' ' A' ' 19' ' ' THR . 5.4 tp -85.91 111.24 20.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 119' ' ' LYS . 8.1 tp -118.44 131.12 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 102' ' ' LEU . 4.0 mp -119.43 128.64 54.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.4 m -113.28 134.16 54.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.479 ' CG2' HD21 ' A' ' 139' ' ' LEU . 48.4 t -107.79 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 116' ' ' VAL . 15.4 t -122.34 138.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 108' ' ' PHE . 23.3 t0 -79.69 152.02 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.543 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 31.2 t80 -121.9 121.02 36.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.468 ' N ' ' HB2' ' A' ' 112' ' ' SER . 27.6 t0 -175.15 163.77 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -40.11 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.42 38.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.468 ' HB2' ' N ' ' A' ' 109' ' ' ASP . 1.0 OUTLIER -91.93 78.57 5.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -60.56 173.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -77.73 57.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' VAL . 36.2 m -102.42 51.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.425 ' HB ' HG22 ' A' ' 106' ' ' VAL . 1.6 p -35.82 136.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.429 HD13 ' HD2' ' A' ' 39' ' ' PRO . 81.9 mt -70.87 -43.62 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.491 ' C ' HD23 ' A' ' 139' ' ' LEU . . . 178.4 169.51 39.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 102' ' ' LEU . 10.7 ptmt -127.74 166.26 18.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 102' ' ' LEU . 55.3 t -144.1 107.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.506 ' HB3' HD13 ' A' ' 102' ' ' LEU . 80.3 p -103.9 144.98 30.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.501 HG21 ' CZ2' ' A' ' 135' ' ' TRP . 8.7 p -153.31 121.55 3.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.11 18.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.817 ' HB3' HD21 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -91.69 18.44 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.08 -47.93 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.89 -51.88 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.4 t -53.11 150.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.07 99.01 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.817 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.2 mt -64.16 -52.93 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 1.022 HG12 HD21 ' A' ' 23' ' ' LEU . 15.4 m -43.97 -32.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -93.37 -22.91 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 99.14 159.08 29.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -130.68 153.32 20.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.493 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 9.0 t-160 -170.43 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.501 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 35.7 p90 -153.01 179.08 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 17.4 m95 -120.28 133.28 55.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.411 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 44.1 mttt -129.58 163.0 26.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 139' ' ' LEU . . . -108.64 111.13 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 118' ' ' GLY . 4.9 mp -37.25 142.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.8 pt -117.5 152.73 49.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.164 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 38.9 t -52.97 159.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.89 -176.69 23.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.64 69.06 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.392 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -145.73 124.14 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.0 t -102.94 43.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -155.03 163.49 40.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -114.36 173.97 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.03 -154.88 25.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -92.36 101.69 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 p -47.59 147.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -64.16 -105.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 32.2 t -37.78 148.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.816 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -83.6 134.23 34.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.1 m-85 -38.87 -64.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 49.81 34.86 8.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -88.91 -42.31 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.53 -156.26 26.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.0 mtp -150.65 146.21 26.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 35' ' ' ALA . 11.3 tp -124.4 141.73 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.1 t-160 -100.12 130.22 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' HG11 ' A' ' 120' ' ' VAL . 33.2 p90 -153.44 155.23 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' ' 33' ' ' ILE . 91.1 p -136.47 119.13 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' THR . 9.6 t -102.63 116.67 33.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' HA3' ' A' ' 132' ' ' GLY . 1.1 tp-100 -138.48 128.22 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -96.71 129.68 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.43 113.36 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.0 mm? -70.81 -39.61 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 24' ' ' LEU . 7.3 tt -52.25 -48.29 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 94.9 m-70 -98.42 -3.95 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 53.6 43.19 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -129.13 175.04 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -107.14 104.34 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.415 HG22 ' HD2' ' A' ' 86' ' ' ARG . 11.1 m -84.39 97.11 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -103.13 106.15 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -97.4 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.12 106.74 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 34' ' ' GLU . 21.7 mt -85.35 166.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.577 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.9 pt-20 -63.82 -178.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.577 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -150.71 177.56 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -162.23 170.78 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 68.54 31.97 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.39 138.94 21.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 143.97 52.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HG2' HD11 ' A' ' 42' ' ' ILE . 53.6 Cg_endo -69.74 168.83 20.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 95.05 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 45' ' ' ASP . 41.3 mt -135.14 139.91 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.5 m -93.77 88.3 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 42.21 54.89 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . 3.1 t70 -135.96 179.43 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.85 -110.87 1.02 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -128.09 39.91 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -83.11 40.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -149.77 160.31 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -140.78 158.82 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' ASP . 9.9 ptp 33.12 35.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -88.9 103.42 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -111.62 -179.11 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 t -168.59 176.85 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -107.69 84.04 1.83 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.06 17.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -166.77 136.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 105' ' ' VAL . 66.4 t -94.63 148.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -116.07 163.96 15.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.42 146.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 p -158.72 126.27 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -92.07 97.14 10.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 3.1 mm? -76.36 155.51 83.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.1 Cg_endo -69.75 -31.45 4.54 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.357 -0.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -35.53 128.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -127.35 34.67 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -106.92 -56.88 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -87.49 101.66 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 p -120.36 134.22 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.5 tppt? -110.2 146.87 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.6 pt20 -140.85 150.17 42.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.8 p -87.3 157.27 19.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.65 160.34 37.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.538 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 94.5 t -74.15 127.79 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 14.1 mmmt -91.95 164.9 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.6 mmt180 -80.3 161.26 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' ARG . 52.4 mtmt -35.91 114.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -174.13 146.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.26 -39.82 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.6 ptmt -105.3 99.77 22.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 53.3 Cg_endo -69.8 122.97 9.63 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.521 HG22 ' CB ' ' A' ' 34' ' ' GLU . 59.4 t -124.53 88.22 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 81' ' ' PRO . 1.1 m-85 -81.43 -54.33 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE1' HG12 ' A' ' 82' ' ' VAL . 22.5 mt-10 60.01 45.29 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -108.97 156.08 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HD2' HG22 ' A' ' 29' ' ' THR . 7.7 tpp180 -104.97 143.99 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -141.58 148.51 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.8 p -130.19 166.86 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.584 ' O ' HG22 ' A' ' 91' ' ' ILE . 86.4 m-85 -152.75 122.12 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.7 80.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.3 tt -132.16 132.07 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.37 21.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.418 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CE2' ' NE2' ' A' ' 97' ' ' GLN . 75.4 t80 -38.93 -61.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' ARG . 40.1 tt0 -73.92 -46.02 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.554 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -37.41 -42.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 93' ' ' PHE . 77.0 mt-30 -64.43 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.4 mtm180 -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -90.0 161.86 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.0 m -123.72 148.07 46.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.636 HD23 HG11 ' A' ' 122' ' ' VAL . 9.4 tp -94.59 103.78 15.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 103' ' ' LEU . 1.8 tm? -117.81 127.26 53.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.757 ' N ' HD13 ' A' ' 102' ' ' LEU . 2.4 mp -121.87 127.81 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 m -111.86 126.58 55.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 58' ' ' VAL . 73.1 t -94.04 114.35 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.895 HG22 HG12 ' A' ' 116' ' ' VAL . 40.8 t -117.47 148.51 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.33 103.64 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.46 113.94 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -96.48 176.01 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.56 -44.18 14.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 112' ' ' SER . 49.1 m-85 -81.15 43.51 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' PHE . 23.2 t 34.55 54.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -97.06 128.63 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.53 88.45 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.2 m -129.62 86.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.895 HG12 HG22 ' A' ' 106' ' ' VAL . 16.1 m -58.91 140.93 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 70.7 mt -78.67 -40.21 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.85 -178.11 48.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -141.83 163.43 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.564 ' O ' HD22 ' A' ' 102' ' ' LEU . 50.6 t -136.95 118.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.583 ' HB3' HD23 ' A' ' 102' ' ' LEU . 95.0 p -107.04 149.33 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.636 HG11 HD23 ' A' ' 101' ' ' LEU . 14.9 p -161.61 120.7 1.46 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 131.21 20.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.763 ' HB3' HD21 ' A' ' 129' ' ' LEU . 4.9 mt -95.75 18.06 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.75 -21.89 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.77 -36.84 6.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.472 HG11 ' HH2' ' A' ' 135' ' ' TRP . 80.5 t -62.06 137.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.63 83.89 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.6 mt -60.46 -40.32 90.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.417 HG22 HD21 ' A' ' 23' ' ' LEU . 63.6 t -58.01 -45.1 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.47 -29.16 41.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.446 ' HA3' ' NE2' ' A' ' 20' ' ' GLN . . . 116.73 161.12 12.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.18 132.22 6.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -157.65 107.15 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.492 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 39.0 p90 -152.17 179.33 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 22.1 m95 -122.45 130.97 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.409 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.0 mttt -126.07 171.83 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.06 128.57 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.42 145.21 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.65 152.09 46.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 90.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 t -57.81 120.87 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.17 -175.16 50.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -158.43 137.05 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.5 t -108.15 147.23 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -118.67 119.11 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -122.28 88.61 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.36 135.54 12.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 m -95.7 140.7 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -162.39 127.87 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.85 179.4 47.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -58.42 -23.49 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -150.28 170.68 18.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 140' ' ' ILE . 1.0 OUTLIER -116.63 142.43 46.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -122.47 82.97 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.4 mt -104.91 -48.18 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.46 -148.93 20.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.492 ' HA ' HD12 ' A' ' 139' ' ' LEU . 44.4 mtp -145.86 159.78 42.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 35' ' ' ALA . 22.7 tp -134.52 130.03 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 6.2 t-160 -89.65 134.08 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -159.3 148.61 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -131.25 119.81 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 19' ' ' THR . 6.3 t -108.4 120.55 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' CG ' ' HA2' ' A' ' 132' ' ' GLY . 11.8 tm0? -143.46 119.67 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 30.5 t80 -81.49 147.75 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.5 m-20 -117.89 136.93 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.56 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.1 mm? -90.8 -28.82 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -45.73 -42.33 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.562 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 31.7 m-70 -121.93 -1.72 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.33 44.91 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p80 -127.43 167.87 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.58 110.1 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.27 100.06 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -100.12 106.66 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -92.13 103.94 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 72' ' ' THR . 92.6 t -68.45 104.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 34' ' ' GLU . 37.9 mt -83.58 165.17 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.602 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.5 pt-20 -66.21 -179.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.539 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -147.0 178.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -160.73 175.46 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.06 41.63 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.945 HD22 HG21 ' A' ' 117' ' ' ILE . 92.8 mt -102.97 140.45 21.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.24 15.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.294 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.35 19.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.66 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.613 HG22 ' N ' ' A' ' 43' ' ' SER . 66.9 mt -145.93 163.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.613 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.1 m -70.84 -58.69 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -79.54 -177.27 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -49.03 -49.24 42.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.47 55.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' ARG . 12.3 t -60.67 164.27 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' SER . 51.3 mtp85 -36.08 120.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HB3' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -111.28 144.62 40.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -128.2 99.22 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.17 42.17 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.14 126.22 47.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -148.91 -176.88 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -159.82 -175.28 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.479 ' HB3' HG13 ' A' ' 74' ' ' VAL . 8.9 m120 -107.49 81.94 1.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.34 56.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 108' ' ' PHE . 22.7 p90 -150.01 151.03 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 61.6 t -105.88 148.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -115.37 162.56 16.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 32' ' ' VAL . 6.8 mt -133.26 154.36 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -168.8 147.3 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.59 91.95 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 56.9 mt -60.53 154.85 53.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo -69.82 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.341 -0.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -46.68 120.92 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -104.61 -1.86 25.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -57.22 -69.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -63.49 90.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -118.0 124.76 48.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HE3' ' CD1' ' A' ' 87' ' ' TYR . 8.1 tppt? -104.31 148.27 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.9 pt20 -133.65 140.34 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.554 HG21 HG11 ' A' ' 32' ' ' VAL . 54.5 p -66.77 -52.36 44.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.4 -177.29 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 55' ' ' ASN . 74.4 t -98.3 108.61 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -81.45 167.25 19.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 78' ' ' THR . 26.1 mmm180 -82.18 158.47 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' ARG . 11.1 mptt -35.91 112.67 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 76' ' ' ARG . 14.7 t -175.1 128.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -61.12 -38.95 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -103.39 94.93 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.7 Cg_endo -69.74 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.77 112.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 19.8 m-85 -101.59 -49.79 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.48 41.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -105.43 166.14 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -123.03 145.61 48.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.487 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 75.4 m-85 -143.43 162.78 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.558 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -128.13 162.54 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 88' ' ' THR . 51.4 m-85 -154.26 114.31 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.84 94.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.6 tt -147.27 133.47 9.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.79 131.45 21.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 49.6 t80 -37.27 -60.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.8 mp -36.34 -59.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 98' ' ' ARG . 24.8 tt0 -58.99 -44.43 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . -38.51 -45.16 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.06 -42.02 99.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLU . 54.6 mtt85 -68.62 -33.13 73.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -82.65 158.6 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 122' ' ' VAL . 24.0 m -122.28 144.94 48.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.642 ' O ' HG12 ' A' ' 122' ' ' VAL . 17.7 tp -96.56 103.42 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 102' ' ' LEU . 10.4 tt -117.78 128.03 54.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 mp -113.43 112.22 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 106' ' ' VAL . 92.9 m -88.99 111.59 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -84.59 105.82 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.419 HG23 HG22 ' A' ' 104' ' ' THR . 60.0 t -113.97 147.53 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -114.12 99.16 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.412 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 16.0 t80 -67.43 177.21 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -168.49 162.65 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.54 -34.06 41.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.5 38.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.4 p 43.74 33.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' HIS . 17.9 mmt180 -85.46 11.86 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 113' ' ' ARG . 1.8 p-80 -36.19 125.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 68.4 m -142.78 127.5 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 116' ' ' VAL . 12.9 p -73.54 127.75 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.945 HG21 HD22 ' A' ' 38' ' ' LEU . 23.8 mm -80.12 -41.66 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 168.08 177.96 39.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.906 ' HE3' HD11 ' A' ' 140' ' ' ILE . 31.1 pttt -131.77 144.94 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.96 108.39 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.1 p -97.44 149.59 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.705 HG21 ' HZ2' ' A' ' 135' ' ' TRP . 2.3 p -155.87 121.74 2.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 133.82 26.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 129' ' ' LEU . 10.0 mt -100.26 15.91 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.9 -1.11 49.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -122.84 -40.42 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.6 HG11 ' CH2' ' A' ' 135' ' ' TRP . 26.0 t -67.07 131.33 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.28 73.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 124' ' ' LEU . 6.3 mt -49.42 -51.32 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 93' ' ' PHE . 86.8 t -37.97 -43.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -82.98 -66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.403 ' HA2' ' CG ' ' A' ' 20' ' ' GLN . . . 162.32 159.71 10.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -133.41 133.09 6.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.495 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 11.3 t-160 -158.58 106.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.705 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 37.9 p90 -152.86 178.63 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.7 m95 -121.08 129.73 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -124.28 162.0 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.76 136.04 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.4 mp -70.08 154.85 41.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.906 HD11 ' HE3' ' A' ' 119' ' ' LYS . 7.3 pt -131.45 151.79 79.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.12 2.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 t -64.85 174.9 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.8 -176.16 53.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 90.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.0 m -50.08 -72.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 95.7 p -78.63 157.82 28.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -112.85 116.59 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.917 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -126.59 138.69 53.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.49 135.52 16.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -109.11 159.16 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -117.77 45.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.93 50.84 2.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -156.07 131.2 9.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 5.3 tmtt? -129.43 141.8 50.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.476 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -75.85 124.03 26.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -106.94 32.56 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -50.05 -57.25 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.95 -158.11 28.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtp -143.61 147.35 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' A' ' 35' ' ' ALA . 12.4 tp -129.49 140.06 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.9 t-160 -100.09 134.46 42.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.454 ' CE1' HG11 ' A' ' 120' ' ' VAL . 28.5 p90 -158.71 153.23 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -133.28 121.26 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.1 t -106.18 119.69 39.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -142.48 140.02 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -107.98 139.52 42.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -105.11 130.81 53.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.58 -39.15 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 ' NE2' ' A' ' 25' ' ' HIS . 10.5 tt -48.65 -45.47 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 96.5 m-70 -100.93 -15.68 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 m120 63.62 47.93 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -139.44 165.83 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.93 113.87 26.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -94.82 99.81 11.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.5 t -101.02 108.67 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -96.37 102.91 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 ' H ' ' A' ' 85' ' ' GLU . 18.9 m -64.78 120.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 34' ' ' GLU . 9.2 mt -101.87 169.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.596 ' H ' HG22 ' A' ' 33' ' ' ILE . 12.6 pt-20 -66.88 178.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.689 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.77 -179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -165.43 169.66 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t0 69.42 41.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -98.76 125.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.22 64.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.89 23.14 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mm -117.3 142.4 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -139.03 109.9 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 42.25 42.93 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.5 177.58 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.69 -46.8 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -88.76 97.04 10.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -134.06 176.01 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.792 ' CB ' ' HB2' ' A' ' 52' ' ' ALA . 26.2 mt-30 -51.61 133.12 30.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.7 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 mtm -87.25 42.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.792 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -92.44 123.76 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.542 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 12.4 t-80 -168.93 143.76 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 m -94.76 -69.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.486 ' HB2' HG13 ' A' ' 74' ' ' VAL . 3.0 p30 -174.91 105.78 0.26 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD3' ' CE1' ' A' ' 53' ' ' HIS . 53.8 Cg_endo -69.77 136.71 33.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 13.8 p90 -150.86 134.99 16.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.16 149.35 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' C ' HG13 ' A' ' 60' ' ' ILE . 40.1 mtpt -114.82 160.61 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 59' ' ' LYS . 6.5 mt -137.84 135.04 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -153.63 133.33 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.78 97.23 9.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 77.2 mt -66.07 154.38 89.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo -69.69 -34.55 3.01 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.297 -0.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.51 125.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LYS . 36.3 mt-30 -116.48 -29.54 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' GLN . 22.8 ttpt -37.22 -71.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -61.26 108.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -122.58 121.35 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 11.8 tppt? -115.17 145.7 42.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 5.8 pt20 -128.57 167.53 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.471 HG22 HG21 ' A' ' 32' ' ' VAL . 39.6 p -85.39 -29.37 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.73 -148.24 18.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG13 ' HB2' ' A' ' 55' ' ' ASN . 72.5 t -132.39 137.2 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 39.1 mmtm -127.46 169.22 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 40.7 mmt180 -86.95 163.6 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 26.9 mtmt -35.34 110.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 78' ' ' THR . 14.8 t -159.55 121.79 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.4 -17.97 64.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -127.0 88.33 54.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.28 14.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.56 129.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -128.47 -30.39 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 41.18 54.41 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' H ' HG23 ' A' ' 32' ' ' VAL . 39.2 tp10 -106.8 156.18 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 20.4 ttm180 -113.16 132.2 55.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -126.64 152.57 46.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.467 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.2 p -119.25 151.92 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 88' ' ' THR . 30.2 m-85 -143.94 126.32 15.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.81 94.97 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -148.01 133.74 9.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.597 0.713 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.77 129.76 18.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' PRO . 69.4 t80 -36.45 -56.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -39.61 -58.15 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.23 -45.53 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.14 -44.69 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.18 -44.38 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -70.46 -46.07 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -54.08 164.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 122' ' ' VAL . 92.9 m -135.8 138.76 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HB3' HG13 ' A' ' 122' ' ' VAL . 16.5 tp -80.95 113.3 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -122.99 115.71 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 101' ' ' LEU . 1.7 mp -116.51 103.85 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.7 m -91.42 129.76 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.37 105.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 1.8 t -118.14 143.72 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -112.36 110.58 20.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -75.55 115.29 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.25 179.31 7.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HD2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -82.22 -14.48 55.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 98.1 m-85 -96.63 28.59 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t 51.45 45.3 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -114.79 127.47 55.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 7.9 p80 -102.7 84.11 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 54.1 t -82.63 108.74 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.7 t -77.57 118.87 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.42 -43.12 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.25 -176.47 48.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -151.75 163.04 40.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 17' ' ' PHE . 68.9 t -133.97 112.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.408 ' CB ' HD23 ' A' ' 102' ' ' LEU . 3.8 p -103.77 143.78 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 101' ' ' LEU . 2.0 p -155.89 125.71 3.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.5 17.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.929 HD22 HD21 ' A' ' 129' ' ' LEU . 96.6 mt -84.38 15.0 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.9 t -98.07 -10.19 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -101.89 -47.3 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -75.65 137.07 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.07 82.57 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.929 HD21 HD22 ' A' ' 124' ' ' LEU . 8.9 mt -44.15 -51.8 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 129' ' ' LEU . 88.8 t -36.07 -55.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -70.58 -59.13 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.94 156.55 6.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -125.99 135.92 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.53 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.404 ' NE2' ' CE1' ' A' ' 16' ' ' HIS . 9.8 t-160 -164.16 105.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.543 ' CD1' ' HE2' ' A' ' 137' ' ' LYS . 34.1 p90 -152.92 179.2 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 19.8 m95 -117.96 136.23 53.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.543 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 11.9 mttm -135.27 164.23 28.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.43 133.27 46.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.01 148.5 43.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.9 pt -123.06 150.8 60.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 111.154 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 100.58 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 166.23 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 150.1 143.25 3.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -43.74 2.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 m -73.59 117.01 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 52.7 p -127.44 131.41 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -149.09 128.06 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 110.834 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -121.73 123.56 42.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.53 -79.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 48.95 42.56 20.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -96.42 158.62 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.47 74.01 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 t -50.21 -54.96 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 4.5 tmtm? -142.2 143.01 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -96.17 68.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -61.41 79.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' TYR . 54.2 mt -103.36 -48.27 4.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.85 -147.21 18.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.556 ' HA ' HD12 ' A' ' 139' ' ' LEU . 65.0 mtp -154.32 154.25 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 35' ' ' ALA . 9.3 tp -131.5 135.73 47.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.648 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 6.2 t-160 -94.22 129.14 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -158.68 170.68 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.04 142.67 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.17 116.39 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -135.29 116.83 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 9.6 t80 -90.44 125.12 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.39 133.82 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.71 -33.93 18.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -55.63 -49.69 72.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.4 m-70 -97.55 -10.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m120 58.02 47.49 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -130.99 169.21 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.9 tp -101.0 107.4 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -91.66 100.97 13.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.65 109.62 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.758 HH21 HD11 ' A' ' 33' ' ' ILE . 22.7 ttp180 -95.37 128.25 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -91.59 106.18 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.758 HD11 HH21 ' A' ' 31' ' ' ARG . 56.8 mt -87.42 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.634 ' N ' HG22 ' A' ' 33' ' ' ILE . 18.1 pt-20 -58.57 177.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -147.31 -179.23 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -163.03 176.42 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 64.54 34.73 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD22 HG21 ' A' ' 117' ' ' ILE . 91.2 mt -97.57 136.75 21.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 123.29 9.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.91 26.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 91.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.608 HG21 ' HA2' ' A' ' 46' ' ' GLY . 3.1 mm -130.03 155.63 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 21.2 t -79.57 -177.89 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -43.24 -43.69 4.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.54 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.608 ' HA2' HG21 ' A' ' 42' ' ' ILE . . . -96.73 103.98 2.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 t -116.12 -64.44 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -131.5 158.51 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -112.86 43.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -68.82 122.76 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.2 mtm 51.69 48.56 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.07 112.76 16.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -151.69 170.31 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -165.03 178.48 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -114.88 82.8 8.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.23 8.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -171.28 153.68 3.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 105' ' ' VAL . 60.5 t -108.3 157.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.171 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 58' ' ' VAL . 35.9 mtpt -122.88 155.7 36.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mt -130.75 139.41 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 p -157.6 144.06 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 mt -103.98 92.68 4.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.562 HD23 ' HG2' ' A' ' 66' ' ' GLN . 19.8 mt -71.97 155.7 91.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.9 Cg_endo -69.76 -36.81 2.2 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -38.74 96.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.562 ' HG2' HD23 ' A' ' 63' ' ' LEU . 7.4 mm100 -97.69 18.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -81.34 -62.32 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -89.65 110.48 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -136.85 136.67 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.8 tppt? -107.45 146.46 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -125.59 171.52 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.4 p -119.53 139.76 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.46 161.62 1.66 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 74' ' ' VAL . 3.2 m -86.94 129.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 83' ' ' PHE . 15.9 mmtm -79.31 163.88 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 78' ' ' THR . 38.0 mmt180 -76.85 165.23 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ARG . 3.4 pttp -34.09 114.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 76' ' ' ARG . 15.0 t -172.28 161.5 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -95.44 -18.4 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -131.9 100.46 15.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.69 121.52 8.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 34' ' ' GLU . 1.5 p -125.11 105.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -102.15 -30.31 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' PHE . 31.7 mt-10 37.86 51.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -112.79 145.25 40.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -98.33 143.09 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -134.69 147.65 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -119.12 159.58 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 88' ' ' THR . 40.4 m-85 -148.08 123.71 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 tt -144.83 132.27 10.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.84 128.11 15.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' LEU . 50.6 t80 -36.66 -62.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' PHE . 7.3 mp -35.21 -40.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -79.33 -45.56 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.47 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -43.05 -43.78 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -55.89 -37.65 69.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -75.26 -30.17 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -76.14 163.75 26.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.2 m -128.61 135.18 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.12 113.54 20.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.3 tm? -122.15 127.05 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -124.88 115.25 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.3 m -104.31 136.74 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 58' ' ' VAL . 69.3 t -108.73 110.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.51 150.55 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.59 139.72 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -108.95 109.72 20.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -86.16 -175.46 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -83.53 -25.44 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.38 30.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.0 m 50.03 32.28 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -80.27 169.46 17.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -142.48 118.93 10.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 59.1 m -133.71 105.52 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.431 ' H ' HG12 ' A' ' 116' ' ' VAL . 1.6 p -69.65 99.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.43 HG21 HD22 ' A' ' 38' ' ' LEU . 5.9 mm -52.61 -41.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 171.06 -166.96 40.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.07 159.35 36.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.48 117.79 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.451 ' HB3' HD23 ' A' ' 102' ' ' LEU . 4.5 p -108.46 145.32 34.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.7 p -153.56 130.31 5.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.28 20.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 129' ' ' LEU . 7.1 mt -96.85 23.2 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 47.5 t -86.44 -54.15 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.65 -38.44 23.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 49.5 t -46.74 136.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -79.99 62.82 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 124' ' ' LEU . 27.3 mt -40.49 -44.36 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.9 t -43.72 -59.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -73.92 -57.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.43 172.49 19.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.605 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -136.07 60.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -83.85 103.82 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.5 p90 -152.2 179.4 8.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.648 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 12.2 m95 -122.53 129.49 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.469 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 25.6 mttt -125.74 171.75 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.32 133.79 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.3 mp -66.21 143.01 57.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.9 pt -118.04 155.51 51.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.186 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 112.1 3.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.3 p -69.22 141.15 54.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 167.82 174.05 36.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.6 45.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.8 m 39.89 50.48 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 74.0 m -148.32 112.13 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -158.28 167.73 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -92.55 145.47 24.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.23 79.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 p -72.5 135.76 45.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -113.67 -62.35 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.41 -89.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 p -153.62 160.87 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -80.53 178.06 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' CE2' HG22 ' A' ' 140' ' ' ILE . 13.3 p90 -119.38 113.71 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -102.32 42.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.78 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.75 -151.56 14.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.9 mtp -157.35 142.28 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.55 130.81 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.0 t-160 -91.39 132.64 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.43 158.26 35.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -137.73 138.41 39.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -120.59 113.61 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.98 120.94 19.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 4.0 t80 -92.68 136.66 33.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -107.14 120.27 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 mp -76.79 -34.27 57.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -43.9 -42.16 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.1 m170 -116.87 10.3 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 45.8 47.53 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -132.99 163.68 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -99.31 116.71 32.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 m -96.94 103.01 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.14 110.68 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -103.53 104.28 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.85 131.74 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.614 HG22 ' N ' ' A' ' 34' ' ' GLU . 38.3 mt -109.52 164.88 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.614 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.6 pt-20 -57.66 177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.09 179.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -164.94 173.57 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.17 40.35 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -96.3 128.19 37.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 146.38 59.98 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.94 61.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 54.0 Cg_endo -69.67 97.37 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 mt -140.17 153.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -83.56 -62.34 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -79.9 -179.09 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -69.8 -49.65 50.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.09 135.49 10.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.7 m -156.08 167.32 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -93.27 92.53 7.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -135.01 111.59 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.81 -60.69 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.77 80.3 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' O ' ' CG ' ' A' ' 53' ' ' HIS . . . -111.34 96.47 6.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 57.4 m80 -164.39 140.38 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -115.77 -66.87 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB2' HG13 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -174.11 105.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.72 166.96 25.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.468 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 4.8 p90 -172.91 135.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 59' ' ' LYS . 62.8 t -99.4 152.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 58' ' ' VAL . 7.0 mtpm? -115.8 157.44 24.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -133.11 133.08 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.38 147.06 27.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.94 92.62 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 67.0 mt -64.01 153.04 86.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo -69.8 -25.09 8.24 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.333 -0.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.23 120.1 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' LYS . 18.1 mt-30 -112.81 -47.06 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLN . 6.3 ptmt -35.0 -49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -82.21 87.71 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -113.29 165.72 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -139.39 165.72 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.92 149.09 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.561 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 26.6 p -88.08 161.62 17.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.09 176.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 55' ' ' ASN . 87.8 t -114.45 110.97 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -94.18 169.35 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 76' ' ' ARG . 2.3 mpt_? -76.1 163.26 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.7 pttm -34.43 120.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -168.89 138.26 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -81.87 -33.33 30.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -114.31 77.87 4.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.22 34.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 82' ' ' VAL . 3.1 p -130.2 111.46 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 1.2 m-85 -93.01 -43.19 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 46.78 39.83 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -102.34 178.6 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -128.74 145.31 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.95 149.88 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 9.3 p -124.08 152.18 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 88' ' ' THR . 28.1 m-85 -146.88 120.12 8.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 83.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 89' ' ' PHE . 2.3 tt -140.74 132.13 13.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.1 Cg_endo -69.77 131.69 21.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 86.7 t80 -36.19 -60.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.72 -41.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -74.19 -52.05 13.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.3 -15.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 52.2 mt-30 -79.99 -49.96 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.28 -24.98 60.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 64' ' ' PRO . 2.7 mmp_? -72.91 164.0 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.2 m -125.1 144.76 50.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.587 ' HB3' HG13 ' A' ' 122' ' ' VAL . 22.8 tp -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.628 HD13 ' N ' ' A' ' 103' ' ' LEU . 1.3 tm? -130.72 118.42 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.628 ' N ' HD13 ' A' ' 102' ' ' LEU . 4.9 mp -106.17 149.28 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -132.41 120.21 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.591 ' CG2' HD21 ' A' ' 139' ' ' LEU . 54.5 t -94.53 108.35 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 47.9 t -119.77 145.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -106.11 93.53 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.456 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 7.9 t80 -43.8 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 113' ' ' ARG . 0.3 OUTLIER -148.61 176.13 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.557 ' HD3' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -108.59 -16.24 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 110' ' ' LYS . 93.8 m-85 -102.78 50.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' PHE . 40.6 m 34.18 45.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.2 mmp_? -99.13 179.84 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.46 151.62 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 37.7 t -171.42 112.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.8 t -102.38 102.34 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 98.1 mt -56.8 -52.5 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.13 -169.18 38.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HD3' ' CB ' ' A' ' 142' ' ' SER . 2.2 ptmt -147.14 177.69 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.1 t -147.66 116.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.496 ' HB3' HD23 ' A' ' 102' ' ' LEU . 54.5 p -106.33 150.23 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.587 HG13 ' HB3' ' A' ' 101' ' ' LEU . 2.1 p -162.63 120.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.33 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 129' ' ' LEU . 85.0 mt -57.31 -20.36 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.8 p -60.27 -29.04 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.35 -10.55 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 128' ' ' ASP . 59.5 t -83.07 154.14 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG12 ' A' ' 127' ' ' VAL . 4.4 m-20 -93.85 72.58 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.683 HD21 HD22 ' A' ' 124' ' ' LEU . 18.7 mt -55.48 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.02 -57.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -68.46 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.79 135.84 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.09 127.45 8.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -154.08 106.42 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.472 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 45.6 p90 -152.7 179.55 8.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.551 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.0 m95 -117.94 125.55 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 18.1 mttt -123.16 159.31 28.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.05 128.01 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.591 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.3 mp -58.28 137.35 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.434 HG22 ' CE2' ' A' ' 10' ' ' TYR . 7.5 pt -105.42 151.9 39.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 27.0 t -46.68 167.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 117.58 173.96 16.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 95.2 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -50.92 94.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.2 p -79.97 126.85 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -158.43 153.01 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -161.19 153.06 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.68 125.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -140.99 121.45 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -125.91 123.48 38.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 152.39 6.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 p -114.55 39.22 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HE2' ' CE1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -157.78 150.41 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CE1' ' HE2' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -86.34 -58.6 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 56.54 37.57 28.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.523 HD12 ' HD3' ' A' ' 141' ' ' PRO . 13.5 mt -72.82 -24.01 60.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.6 -164.48 25.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -141.82 153.15 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -136.19 138.02 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 13.2 t-160 -97.99 134.87 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -157.46 159.31 37.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.9 p -139.3 129.73 25.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.564 ' HB ' HD22 ' A' ' 101' ' ' LEU . 10.2 t -114.41 121.83 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -143.9 131.43 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 20.0 t80 -98.75 144.59 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.3 t0 -108.69 128.38 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.42 -26.73 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 24' ' ' LEU . 1.9 tt -60.01 -47.88 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 35.8 m-70 -108.67 5.33 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 1.3 p-10 45.86 52.57 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -132.87 161.99 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.83 109.11 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.505 HG21 ' HE ' ' A' ' 86' ' ' ARG . 26.3 m -94.53 114.99 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -114.46 102.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -84.23 108.17 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 32' ' ' VAL . 33.1 m -72.27 117.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.584 HG22 ' N ' ' A' ' 34' ' ' GLU . 14.8 mt -98.77 168.13 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.604 ' CB ' HG22 ' A' ' 82' ' ' VAL . 11.2 pt-20 -68.18 179.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.35 -179.02 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -163.02 177.48 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.55 49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -105.85 131.48 21.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HG2' HD12 ' A' ' 117' ' ' ILE . 53.6 Cg_endo -69.72 123.82 10.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.767 ' HG2' HD11 ' A' ' 42' ' ' ILE . 54.1 Cg_endo -69.73 166.7 26.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 89.69 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.767 HD11 ' HG2' ' A' ' 40' ' ' PRO . 7.5 mt -117.09 139.96 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 21.72 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.452 ' H ' HG22 ' A' ' 42' ' ' ILE . 37.4 t60 -160.29 168.94 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.28 89.76 6.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' SER . . . 133.07 -96.01 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.522 ' O ' HG21 ' A' ' 42' ' ' ILE . 50.4 p -34.71 131.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 17.9 ttp-105 -114.84 134.26 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -66.71 150.85 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.98 -51.97 5.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 51' ' ' MET . 6.5 ptp -96.6 82.25 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.13 122.73 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -91.08 -178.25 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.446 ' C ' ' HD3' ' A' ' 56' ' ' PRO . 5.1 t -159.24 110.5 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -108.21 70.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.8 154.16 67.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 17.9 p90 -144.2 147.35 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 105' ' ' VAL . 92.4 t -98.54 131.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -105.57 157.76 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.75 136.22 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.12 134.38 11.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.44 93.11 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.6 mm? -69.28 154.78 94.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo -69.76 -24.54 8.51 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.359 -0.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -47.04 133.0 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -125.51 -9.14 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -60.74 -68.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -75.28 85.78 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 p -117.23 124.69 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 8.6 tppt? -106.9 145.77 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -125.96 172.81 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -103.69 171.13 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.15 162.15 54.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.08 125.38 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 9.6 mptt -93.23 162.97 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' LYS . 13.9 mmt85 -87.87 165.5 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.8 tttt -30.85 111.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 76' ' ' ARG . 9.2 t -175.01 133.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.97 -43.42 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.4 mtpt -103.37 94.75 6.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 54.0 Cg_endo -69.77 140.89 43.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.604 HG22 ' CB ' ' A' ' 34' ' ' GLU . 98.4 t -133.8 106.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.7 m-85 -98.93 -58.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 56.2 47.34 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -105.31 160.21 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 29' ' ' THR . 18.0 ttt180 -116.28 143.61 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -142.72 160.52 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -130.19 162.34 29.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 88' ' ' THR . 37.2 m-85 -149.7 112.08 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.59 94.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -150.38 138.61 12.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' A' ' 91' ' ' ILE . 53.8 Cg_endo -69.77 140.74 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -49.38 -46.57 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 mt -48.96 -38.46 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -78.95 -41.79 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.73 -40.3 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -63.93 -45.47 89.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -69.06 -14.45 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -98.58 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 122' ' ' VAL . 62.7 m -128.05 143.21 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 19' ' ' THR . 9.1 tp -89.78 102.58 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 119' ' ' LYS . 2.0 tt -116.24 121.78 43.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.33 124.09 51.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.8 m -107.94 116.54 32.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 58' ' ' VAL . 48.2 t -91.6 103.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.6 t -109.39 154.06 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -123.07 122.41 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -85.83 54.03 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.95 -67.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HE2' ' C ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -50.11 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 110' ' ' LYS . 3.1 m-85 45.76 25.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m 54.17 44.75 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -101.2 -176.84 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -78.75 50.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.46 70.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.9 p -68.45 127.14 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.496 ' O ' HD22 ' A' ' 12' ' ' LEU . 7.5 mm -76.4 -43.24 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.16 178.06 48.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.707 ' HB2' HD21 ' A' ' 102' ' ' LEU . 19.7 pttm -135.06 145.68 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 41.8 t -132.75 102.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 54.7 p -102.67 147.88 26.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 100' ' ' THR . 2.4 p -148.38 121.97 4.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.15 4.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.72 -0.23 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.87 -18.71 65.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -118.66 -21.06 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.31 144.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 65.32 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.2 mt -45.03 -54.17 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.6 t -42.48 -58.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -68.05 -71.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.76 152.11 6.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -120.05 136.0 11.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.496 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 7.8 t-160 -161.2 105.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.487 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 40.5 p90 -153.13 179.39 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 6.4 m95 -122.58 132.64 54.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 18.4 mttt -129.93 165.77 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.43 129.35 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.44 143.27 56.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.4 pt -125.54 150.8 69.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 111.16 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.523 ' HD3' HD12 ' A' ' 12' ' ' LEU . 53.5 Cg_endo -69.75 120.47 7.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.323 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -73.16 164.68 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -122.0 -157.22 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.438 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.8 t -102.77 92.34 4.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.0 p -61.17 -25.36 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -160.65 139.17 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 p -172.11 164.92 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.6 106.41 1.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -130.32 41.78 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -63.31 157.4 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 45.25 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -149.11 161.87 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -74.93 174.52 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' CZ ' HG22 ' A' ' 140' ' ' ILE . 1.9 p90 -110.73 107.05 16.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.97 39.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.43 -50.19 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.63 28.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.9 mtp -133.9 154.48 51.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 35' ' ' ALA . 21.8 tp -130.23 139.3 50.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.9 t-160 -99.07 132.34 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -159.3 146.99 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -130.66 125.38 33.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' THR . 15.2 t -107.75 124.12 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -142.87 117.7 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.57 129.14 36.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 137.93 36.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.56 -54.8 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -38.79 -38.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.503 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 98.6 m-70 -98.15 -29.76 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 71.99 41.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.503 ' CD2' ' HB3' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -135.94 175.86 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -104.45 111.2 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -92.99 99.96 12.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.36 108.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.46 106.59 18.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.73 108.34 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 34' ' ' GLU . 21.8 mt -88.15 166.01 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.597 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.9 pt-20 -68.08 173.33 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.701 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -143.57 -179.86 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -161.73 -179.92 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.7 31.2 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD22 HG21 ' A' ' 117' ' ' ILE . 75.5 mt -100.45 139.1 20.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.17 22.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.88 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.8 mt -145.06 140.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 m -129.75 -60.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.786 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 10.4 p80 -101.66 -47.03 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 1.6 m-20 -40.99 -37.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . 34.86 57.41 0.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -172.13 160.91 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -53.28 91.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -75.68 119.34 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -76.98 147.78 36.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.3 mmt 50.91 43.46 28.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.8 106.2 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 77' ' ' LYS . 3.8 p80 -87.74 137.52 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.474 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 18.1 m -87.63 -48.11 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 55' ' ' ASN . 2.5 p-10 36.52 51.68 1.87 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 54.1 Cg_endo -69.75 -172.73 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -172.42 158.17 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.623 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 75.3 t -112.69 150.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -118.41 157.41 27.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.96 136.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -156.31 134.81 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.39 121.03 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 64' ' ' PRO . 3.9 mm? -102.36 156.01 35.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.543 ' O ' HD13 ' A' ' 63' ' ' LEU . 53.9 Cg_endo -69.76 -49.45 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.377 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.48 102.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -110.88 64.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -74.77 -67.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -77.88 84.17 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.5 p -95.07 141.72 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -121.15 161.94 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -147.64 172.13 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 p -105.13 164.78 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.26 54.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.0 t -88.94 132.62 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -103.09 165.05 11.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' CD ' ' N ' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -76.21 165.39 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -33.19 124.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -175.11 156.51 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -95.9 -26.09 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -114.39 106.64 52.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.79 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.2 119.03 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.623 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 15.5 m-85 -112.61 -64.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 55.82 41.48 30.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.39 153.51 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -110.42 133.28 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -127.02 152.5 47.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.65 147.8 50.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.636 ' O ' HG22 ' A' ' 91' ' ' ILE . 71.0 m-85 -139.38 117.59 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.98 84.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.5 tt -138.16 131.51 16.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.03 46.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 94' ' ' LEU . 57.9 t80 -42.48 -63.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 93' ' ' PHE . 58.6 mt -34.6 -59.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -61.58 -44.84 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.598 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -45.84 -50.18 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.18 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -78.42 155.05 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.6 m -118.43 124.39 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.642 ' HG ' HD11 ' A' ' 103' ' ' LEU . 20.7 tp -62.7 104.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -110.95 129.66 55.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.774 ' N ' HD13 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -133.88 107.24 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.7 m -95.21 123.89 38.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.529 HG21 HD21 ' A' ' 139' ' ' LEU . 94.0 t -95.38 106.61 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -110.94 132.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -94.41 106.44 18.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.458 ' HB3' ' ND2' ' A' ' 55' ' ' ASN . 34.8 t80 -55.42 145.26 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.27 141.42 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 2.2 pptp? -94.48 30.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -120.89 44.4 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p 40.9 42.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -147.76 162.81 38.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 17.5 p80 -129.4 107.23 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 28.8 m -94.57 96.23 9.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 116' ' ' VAL . 7.2 p -76.24 114.21 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.574 HG21 HD22 ' A' ' 38' ' ' LEU . 40.2 mm -67.27 -42.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.12 -161.56 34.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -162.19 169.8 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.834 ' O ' HD22 ' A' ' 102' ' ' LEU . 85.4 t -137.7 149.61 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.434 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 37.4 p -138.19 116.9 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.733 HG22 ' HE3' ' A' ' 137' ' ' LYS . 73.9 t -132.01 125.07 19.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 126.37 13.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.741 ' HB3' HD21 ' A' ' 129' ' ' LEU . 17.0 mt -93.95 29.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.9 t -102.16 -46.98 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.89 -50.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.579 HG21 ' CH2' ' A' ' 135' ' ' TRP . 7.8 p -60.37 155.3 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -89.5 112.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 124' ' ' LEU . 14.9 mt -85.52 -48.34 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.4 t -42.59 -46.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -59.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 152.82 160.93 9.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.21 127.23 4.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 8.1 t-160 -148.96 110.15 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.579 ' CH2' HG21 ' A' ' 127' ' ' VAL . 31.8 p90 -152.85 178.68 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.572 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 18.3 m95 -124.27 131.91 53.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.733 ' HE3' HG22 ' A' ' 122' ' ' VAL . 19.9 mttm -129.33 172.75 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.02 130.89 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 105' ' ' VAL . 5.7 mp -61.74 143.23 56.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.537 HG22 ' CZ ' ' A' ' 10' ' ' TYR . 8.0 pt -114.92 151.57 45.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.655 0.741 . . . . 0.0 111.149 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 111.2 2.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.8 t -67.63 -50.75 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.02 144.71 18.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 126.96 13.97 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.1 m -62.4 -57.49 11.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.8 m 57.74 42.31 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -113.91 136.26 53.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -106.28 85.5 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.16 136.62 6.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -86.84 150.62 24.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -96.4 85.26 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.36 -138.98 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -52.4 108.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 10.6 tppt? -40.56 142.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 9' ' ' LYS . 1.3 m-85 -43.25 120.53 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -83.55 43.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.58 -30.6 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.61 -159.84 14.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mtp -141.83 155.2 45.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -131.03 135.48 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 8.1 t-160 -97.88 134.43 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 4.1 p90 -159.1 152.3 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 p -129.56 129.11 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 19' ' ' THR . 6.4 t -112.33 114.58 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -139.24 121.18 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 22' ' ' ASP . 12.3 t80 -91.34 146.17 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.0 t70 -112.75 117.11 31.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD11 HG22 ' A' ' 130' ' ' VAL . 9.0 mp -71.88 -45.83 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -48.93 -52.09 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 80.8 m-70 -89.54 -10.48 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 55.26 50.33 15.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -139.36 170.7 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' HG ' HG23 ' A' ' 30' ' ' VAL . 57.6 tp -105.41 107.22 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -84.79 99.96 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' HG ' ' A' ' 28' ' ' LEU . 93.9 t -106.75 104.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.16 106.76 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG11 HG21 ' A' ' 72' ' ' THR . 85.9 t -70.62 102.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.613 HG22 ' N ' ' A' ' 34' ' ' GLU . 46.9 mt -76.89 165.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.613 ' N ' HG22 ' A' ' 33' ' ' ILE . 11.9 pt-20 -64.57 173.02 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 175.66 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -162.33 179.72 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 62.75 36.24 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -96.75 138.33 21.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.705 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 142.32 47.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.372 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.32 27.93 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 84.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -148.53 131.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.0 p -80.42 -59.98 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -123.7 169.84 11.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' GLY . 3.4 t70 64.34 34.38 10.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.06 95.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 1.6 t -141.0 143.31 34.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.36 123.48 23.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -144.8 131.39 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.24 -42.61 52.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.76 76.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.77 119.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -161.04 144.44 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -147.28 -176.6 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 75' ' ' LYS . 5.6 m120 -118.64 81.08 17.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 146.94 61.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CE1' HG13 ' A' ' 106' ' ' VAL . 44.9 p90 -148.36 142.42 25.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.481 HG23 ' CE2' ' A' ' 83' ' ' PHE . 52.0 t -92.86 129.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -99.94 153.31 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.49 154.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.53 156.02 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.2 mt -117.89 101.75 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.0 mt -72.21 156.92 90.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.1 Cg_endo -69.79 -29.68 5.58 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.305 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -46.1 91.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.3 pt20 -97.87 28.9 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -94.03 -62.67 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -75.34 100.42 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.2 p -126.11 140.82 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' NZ ' ' CE1' ' A' ' 89' ' ' PHE . 9.7 mttp -119.04 172.96 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -148.9 144.46 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.471 HG21 HG11 ' A' ' 32' ' ' VAL . 25.7 p -75.66 155.66 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -38.95 153.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.89 137.24 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HB3' HG22 ' A' ' 78' ' ' THR . 19.1 mmtm -84.4 169.5 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' LYS . 9.9 mmt85 -136.18 118.49 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.0 mttm 33.25 54.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.696 HG22 ' HB3' ' A' ' 75' ' ' LYS . 2.6 t -136.76 133.32 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.63 -19.98 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 2.9 pttp -113.11 97.92 44.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.529 0.681 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.78 96.38 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 34' ' ' GLU . 93.3 t -103.44 81.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CE2' HG23 ' A' ' 58' ' ' VAL . 8.1 m-85 -72.75 -61.18 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 61.52 34.13 18.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -106.15 155.04 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -109.1 142.25 40.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.75 155.61 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.5 145.35 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' CE1' ' NZ ' ' A' ' 70' ' ' LYS . 81.2 m-85 -136.5 126.17 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.15 86.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 99' ' ' ARG . 1.6 tt -142.0 131.23 12.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.73 131.68 21.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' PRO . 71.8 t80 -35.2 -51.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 mp -38.61 -53.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.9 tp10 -66.36 -51.44 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.33 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -48.99 -53.38 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.2 -21.85 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.44 ' HG3' ' CD1' ' A' ' 91' ' ' ILE . 20.4 mmt85 -78.29 146.22 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 122' ' ' VAL . 93.3 m -119.34 147.39 44.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.493 HD23 ' CG1' ' A' ' 122' ' ' VAL . 5.9 tp -96.02 109.38 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 120' ' ' VAL . 58.5 tp -117.22 117.56 29.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.57 152.79 25.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -134.83 147.73 50.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.673 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.6 t -124.6 121.41 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 57' ' ' TYR . 5.4 p -137.05 137.47 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.78 91.86 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -40.74 110.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.28 132.45 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -76.06 49.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 112' ' ' SER . 25.1 m-85 -122.41 38.18 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 111' ' ' PHE . 60.5 m 35.93 44.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.809 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -160.56 163.74 32.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -119.5 118.39 30.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.85 63.17 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.4 p -46.55 131.92 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.84 -47.26 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 -170.16 38.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -153.34 165.61 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 102' ' ' LEU . 44.2 t -139.5 130.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.0 p -115.53 148.26 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.493 ' CG1' HD23 ' A' ' 101' ' ' LEU . 4.2 p -161.63 117.56 1.32 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.07 15.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.584 HD22 HD21 ' A' ' 129' ' ' LEU . 12.3 mt -91.71 26.48 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.02 -38.59 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -84.7 -51.87 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.599 HG21 ' CH2' ' A' ' 135' ' ' TRP . 14.8 p -59.74 155.37 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG22 ' A' ' 127' ' ' VAL . 81.8 m-20 -91.63 112.18 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.584 HD21 HD22 ' A' ' 124' ' ' LEU . 19.7 mt -82.23 -52.75 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.666 HG22 HD11 ' A' ' 23' ' ' LEU . 90.7 t -37.8 -54.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -68.08 -54.19 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 140.36 154.89 6.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -126.24 137.38 10.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.498 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.6 t-160 -161.17 105.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CH2' HG21 ' A' ' 127' ' ' VAL . 35.5 p90 -152.81 177.81 10.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 12.2 m95 -119.05 132.84 56.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.413 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 34.7 mttt -128.35 161.48 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.73 126.15 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.673 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.0 mp -54.27 152.88 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.1 pt -125.45 150.53 68.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 93.6 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t -54.58 155.58 4.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -107.85 143.6 16.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.6 p -87.02 2.2 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -107.39 112.35 25.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t 47.19 51.33 13.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -73.13 -16.38 61.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.72 171.92 48.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -163.61 136.25 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -160.36 134.5 7.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.02 47.7 3.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -133.63 161.77 33.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.954 0.407 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 18.8 tptp -122.76 160.86 25.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.19 133.54 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -115.43 78.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 mt -110.87 14.71 22.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 -169.07 35.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.516 ' HA ' HD12 ' A' ' 139' ' ' LEU . 24.6 mtp -133.82 166.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 16' ' ' HIS . 4.9 tp -143.08 137.68 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.3 t-160 -100.15 132.74 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -158.08 169.26 24.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 133' ' ' GLY . 2.1 p -152.05 123.6 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 133' ' ' GLY . 9.0 t -107.7 125.1 50.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 155.3 44.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -119.25 134.43 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 5.2 m-20 -103.74 115.16 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 26' ' ' ASN . 95.6 mt -70.71 -58.72 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LEU . 13.6 tp -37.4 -32.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 55.9 m80 -104.95 -24.11 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' LEU . 10.3 m-80 67.91 40.41 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.629 ' CD2' ' HB3' ' A' ' 25' ' ' HIS . 1.9 p80 -136.08 160.69 37.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -92.47 111.53 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.6 m -94.81 100.17 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 t -95.49 105.72 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' NH1' ' C ' ' A' ' 84' ' ' GLU . 8.4 tpp180 -84.47 126.05 32.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 HD11 ' A' ' 60' ' ' ILE . 21.3 t -101.04 113.11 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.609 HG22 ' N ' ' A' ' 34' ' ' GLU . 50.1 mt -98.08 164.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.609 ' N ' HG22 ' A' ' 33' ' ' ILE . 4.8 pt-20 -61.4 -178.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.91 -179.92 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -162.53 168.67 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.06 27.88 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 117' ' ' ILE . 25.0 mt -82.75 129.25 62.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.26 68.07 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.73 60.92 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.8 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 43' ' ' SER . 23.4 mm -144.91 155.7 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 m -114.6 -41.14 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 -177.27 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.816 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -39.62 -67.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.55 118.61 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.6 m -96.03 85.73 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 55.71 42.12 29.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -120.09 57.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -50.38 -30.65 12.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.9 ptp -167.48 122.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' HIS . . . -89.06 20.59 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 m80 31.3 54.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -78.85 178.99 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.481 HD22 HG21 ' A' ' 74' ' ' VAL . 2.0 p-10 -108.72 82.12 1.65 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.87 15.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 13.2 p90 -165.01 151.43 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 105' ' ' VAL . 53.1 t -99.1 153.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -125.87 156.96 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 32' ' ' VAL . 4.0 mt -134.55 158.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' N ' HG22 ' A' ' 60' ' ' ILE . 1.5 t -174.82 151.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 mt -115.4 97.4 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 82.6 mt -65.75 154.02 89.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.4 Cg_endo -69.72 -30.28 5.21 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.58 109.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 67' ' ' LYS . 49.3 mt-30 -106.22 -41.1 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.4 ttpm? -35.95 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -70.17 103.27 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.3 p -129.04 144.04 51.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 14.1 tppt? -101.74 151.9 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -145.4 159.97 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.621 HG22 ' OH ' ' A' ' 87' ' ' TYR . 58.3 p -113.76 136.12 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.06 151.33 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.481 HG21 HD22 ' A' ' 55' ' ' ASN . 4.2 m -81.06 137.79 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 3.7 mptt -84.89 165.21 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 78' ' ' THR . 31.4 mmt180 -76.22 165.64 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 2.4 ptpp? -32.57 111.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 76' ' ' ARG . 14.9 t -170.99 162.59 7.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -94.69 -26.7 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 14.6 pttp -123.95 100.9 36.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 53.9 Cg_endo -69.76 118.7 5.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -100.82 105.43 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' O ' ' CD ' ' A' ' 85' ' ' GLU . 40.0 m-85 -91.12 -62.63 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' C ' ' NH1' ' A' ' 31' ' ' ARG . 22.5 mt-10 54.22 39.38 30.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 83' ' ' PHE . 8.1 mp0 -115.26 148.22 39.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.32 147.06 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.621 ' OH ' HG22 ' A' ' 72' ' ' THR . 98.9 m-85 -134.86 156.43 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.6 p -128.53 159.83 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 88' ' ' THR . 44.7 m-85 -148.49 124.49 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -71.68 80.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -141.59 134.1 13.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 146.71 61.13 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 96' ' ' ALA . 14.9 t80 -50.68 -63.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' PHE . 66.5 mt -34.52 -43.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -73.26 -43.95 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -47.68 -45.64 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.47 -44.65 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.21 -21.31 63.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -92.1 152.37 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.9 m -116.52 147.13 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' HG ' HD11 ' A' ' 103' ' ' LEU . 47.3 tp -90.65 116.08 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.84 109.52 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.411 HD11 ' HG ' ' A' ' 101' ' ' LEU . 2.6 mp -105.34 133.77 49.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.7 m -125.91 134.96 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 58' ' ' VAL . 32.2 t -108.1 107.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 2.8 t -111.82 147.19 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.88 135.68 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.3 t80 -112.42 115.78 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.54 177.99 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -37.76 -45.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.4 m-85 -79.75 46.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -45.05 94.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' PHE . 70.3 mtt-85 -133.87 -176.2 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -104.01 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' VAL . 54.4 m -85.57 39.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' CYS . 1.6 m -37.8 129.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.478 HG21 HD22 ' A' ' 38' ' ' LEU . 26.0 mm -59.71 -42.92 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.18 -174.06 46.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.595 ' HE3' HD11 ' A' ' 140' ' ' ILE . 42.7 pttt -145.77 156.26 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 37.5 t -136.93 114.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 p -99.87 148.98 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 122' ' ' VAL . 13.4 p -161.56 120.78 1.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.594 ' HB3' HD11 ' A' ' 129' ' ' LEU . 16.0 mt -85.07 22.76 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.47 -9.88 21.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.19 -37.23 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.696 HG21 ' CH2' ' A' ' 135' ' ' TRP . 12.6 p -80.49 117.99 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.07 82.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 124' ' ' LEU . 16.0 mt -50.26 -45.52 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.6 t -37.69 -57.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -70.41 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.33 6.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -120.03 137.78 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.414 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 14.1 t-160 -163.02 105.64 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.696 ' CH2' HG21 ' A' ' 127' ' ' VAL . 38.0 p90 -152.92 179.43 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.3 m95 -117.35 133.16 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -131.06 163.18 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.29 121.46 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.6 mp -54.37 154.22 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.595 HD11 ' HE3' ' A' ' 119' ' ' LYS . 4.5 pt -128.18 153.93 78.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.49 2.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -68.88 156.28 38.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -94.61 -155.11 31.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.43 10.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 90.8 p -109.82 123.86 50.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 66.4 m -109.16 87.74 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -123.27 159.38 28.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -135.71 164.21 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.76 -132.66 2.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -62.6 -39.76 94.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 m 46.36 50.11 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 -158.66 12.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -92.27 -61.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -162.7 149.37 12.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 153.82 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -116.77 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.43 -44.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -153.51 22.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.564 ' HA ' HD12 ' A' ' 139' ' ' LEU . 38.4 mtp -146.16 148.17 32.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 35' ' ' ALA . 7.0 tp -128.58 131.15 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 1.2 t-80 -87.18 128.1 35.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -156.25 156.58 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -142.76 146.24 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -121.58 128.83 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -143.34 117.5 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 17.5 t80 -89.1 123.49 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.21 116.24 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.2 -42.76 62.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.35 -51.41 54.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 99.2 m-70 -93.1 -3.75 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 49.74 53.29 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -137.88 179.28 6.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 tp -111.89 109.86 19.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.46 102.99 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -107.39 105.41 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -99.07 120.92 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 72' ' ' THR . 92.1 t -82.25 107.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 34' ' ' GLU . 17.8 mt -83.69 167.6 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.604 ' N ' HG22 ' A' ' 33' ' ' ILE . 13.9 pt-20 -59.15 -178.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.53 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -157.8 177.27 11.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -166.5 173.04 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.68 37.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 117' ' ' ILE . 42.9 mt -99.68 136.67 20.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.89 66.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.98 17.64 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' C ' HG13 ' A' ' 42' ' ' ILE . 53.8 Cg_endo -69.76 99.17 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.573 HD11 HE22 ' A' ' 49' ' ' GLN . 97.7 mt -151.83 140.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -65.8 -48.74 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -145.69 143.49 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -38.87 110.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.55 -118.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.5 t -104.17 150.73 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -79.97 95.1 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.573 HE22 HD11 ' A' ' 42' ' ' ILE . 2.0 pm0 -72.16 -178.6 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.71 167.85 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 38.19 43.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 99.51 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 77' ' ' LYS . 5.6 p80 -127.17 172.5 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.8 p -163.37 -176.42 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.4 m120 -110.96 80.27 2.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -166.96 146.38 5.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 105' ' ' VAL . 58.6 t -101.61 145.0 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -112.86 158.6 19.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -131.41 141.87 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.5 p -157.97 135.21 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.8 mt -104.1 104.82 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 4.1 mm? -68.6 157.37 88.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo -69.74 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.341 -0.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.21 108.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 67' ' ' LYS . 55.4 mt-30 -103.78 -54.44 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' GLN . 31.8 mtmt -35.73 -54.65 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.54 93.39 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.1 p -125.54 141.24 52.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -102.57 171.68 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -147.03 149.41 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.561 HG21 HG21 ' A' ' 32' ' ' VAL . 3.8 p -96.86 159.49 14.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.68 164.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 87.3 t -90.42 149.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.05 169.4 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.9 mmt180 -124.93 105.12 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.519 ' HB2' ' CG ' ' A' ' 53' ' ' HIS . 5.3 ptpt 31.28 55.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' A' ' 75' ' ' LYS . 1.9 t -129.83 112.43 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.17 -31.83 67.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -105.68 92.77 6.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.9 5.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 82' ' ' VAL . 2.7 p -123.29 88.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.579 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.1 m-85 -77.3 -39.24 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 42.48 35.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 8.5 tp10 -105.02 158.5 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 35.3 ptt180 -119.05 152.83 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -139.48 157.91 45.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 8.9 p -125.09 151.36 45.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' O ' HG22 ' A' ' 91' ' ' ILE . 34.7 m-85 -146.75 113.96 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.94 85.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 89' ' ' PHE . 3.6 tt -137.92 129.9 16.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.74 133.52 25.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 37.4 t80 -34.61 -59.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -35.91 -47.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -70.43 -53.33 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -49.89 -42.61 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -70.62 -36.91 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -63.37 157.98 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.1 m -127.61 114.26 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 124' ' ' LEU . 45.2 tp -58.32 97.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -111.48 110.19 20.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 102' ' ' LEU . 3.7 mp -103.92 144.01 32.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 m -130.86 109.12 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 58' ' ' VAL . 59.3 t -88.28 109.27 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -113.65 141.07 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.23 113.43 26.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -84.93 103.34 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.4 168.38 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.51 163.0 28.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 73.23 51.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.8 m 38.91 33.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -92.35 142.14 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -135.71 125.95 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 38.5 m -134.03 132.43 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.67 125.19 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.738 HG21 HD22 ' A' ' 38' ' ' LEU . 32.1 mm -82.01 -34.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.81 -178.49 35.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -147.78 156.53 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.64 141.33 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -127.61 120.16 27.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.719 HG22 ' HE3' ' A' ' 137' ' ' LYS . 48.4 t -137.33 123.46 13.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.76 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.598 ' HB3' HD21 ' A' ' 129' ' ' LEU . 6.9 mt -95.08 29.95 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.14 -51.17 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -82.33 -42.1 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.4 t -47.29 148.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -90.43 82.92 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.0 mt -60.28 -47.64 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' LEU . 92.6 t -34.03 -51.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -87.97 -72.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.28 177.02 44.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.54 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -144.87 66.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -86.81 110.64 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ2' HG11 ' A' ' 122' ' ' VAL . 10.5 p90 -153.13 179.72 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.6 m95 -128.22 120.8 27.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.719 ' HE3' HG22 ' A' ' 122' ' ' VAL . 20.8 mttm -120.32 159.18 25.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -93.66 150.18 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.4 mp -86.56 144.07 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.7 pt -115.08 152.4 46.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t -68.46 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -81.74 147.47 26.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 94.0 p -107.12 140.69 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 97.0 p -46.74 162.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -62.48 162.27 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -103.63 -47.88 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.14 -167.46 25.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -165.86 136.03 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -156.27 120.03 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.46 -81.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -45.52 162.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.932 0.396 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -68.21 142.76 55.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 8.1 m-85 -36.89 -55.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 60.89 41.12 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.22 -37.09 11.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.18 -162.0 28.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 mtp -149.58 136.73 19.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 35' ' ' ALA . 10.6 tp -119.91 143.17 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.3 t-160 -101.45 132.25 47.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 120' ' ' VAL . 15.4 p90 -158.94 162.96 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.0 p -147.06 133.87 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -114.55 119.83 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -138.02 117.8 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 11.3 t80 -88.08 128.65 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.46 128.48 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.57 -23.13 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.7 -50.86 55.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' CB ' ' CD2' ' A' ' 27' ' ' HIS . 94.3 m-70 -89.73 -18.92 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 69.09 47.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CD2' ' CB ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -142.16 172.71 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.433 ' CG2' ' HG3' ' A' ' 86' ' ' ARG . 2.1 m -113.28 111.71 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.8 102.87 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -88.97 107.65 19.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 HG21 ' A' ' 72' ' ' THR . 8.2 t -72.38 117.04 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 34' ' ' GLU . 51.3 mt -96.78 164.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.623 ' N ' HG22 ' A' ' 33' ' ' ILE . 13.0 pt-20 -61.62 174.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -142.29 -179.6 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -163.99 170.48 16.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.09 53.34 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 mt -109.25 140.19 21.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.48 19.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.76 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 86.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 81.2 mt -115.26 138.35 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 t -97.83 158.67 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -38.91 137.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 62.03 46.88 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.59 103.92 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 m -100.74 -47.24 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -90.19 165.61 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -174.26 156.87 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' MET . 15.4 p-10 -126.83 84.13 2.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' ASP . 17.4 mmt 36.06 54.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.23 123.89 26.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -115.84 -179.21 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 40.8 t -163.67 -177.87 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.712 ' HB3' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -107.49 80.63 0.94 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.81 163.25 39.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 1.7 p90 -166.36 133.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 59' ' ' LYS . 57.8 t -94.66 158.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' N ' HG12 ' A' ' 58' ' ' VAL . 20.0 mtpp -126.4 160.89 29.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -134.82 134.28 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 t -152.58 144.62 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -104.34 95.2 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.5 mt -61.52 154.35 65.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.0 Cg_endo -69.72 -34.01 3.2 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.342 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' PRO . 8.4 m-20 -35.03 100.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -95.98 -3.1 45.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -76.42 -69.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.91 85.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -109.25 162.88 13.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -140.16 167.94 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.96 135.71 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.653 HG21 HG11 ' A' ' 32' ' ' VAL . 53.3 p -61.08 -69.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.77 136.01 1.92 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 55' ' ' ASN . 10.9 p -72.45 117.69 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.2 169.46 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 23.6 mmt85 -75.82 165.59 24.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.8 mtmm -31.85 116.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 76' ' ' ARG . 8.8 t -166.3 147.92 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -89.23 -34.47 16.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -110.69 92.54 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 107.22 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.39 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.98 127.71 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.403 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -117.25 -42.0 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 48.5 45.22 21.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -104.1 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 29' ' ' THR . 25.7 ttp180 -127.29 129.81 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -119.83 151.01 39.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -132.09 129.2 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.81 86.95 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 tt -146.29 132.92 9.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.192 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.78 130.46 19.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 17.2 t80 -34.74 -59.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -35.06 -55.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.2 -45.19 92.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.18 -40.88 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -55.93 -45.29 78.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -80.1 -8.9 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -91.49 146.89 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 122' ' ' VAL . 23.7 m -113.48 139.63 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' A' ' 103' ' ' LEU . 17.8 tp -88.66 103.32 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 102' ' ' LEU . 1.1 tm? -104.32 123.92 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -124.25 109.04 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.4 m -91.27 144.95 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.538 HG21 HD21 ' A' ' 139' ' ' LEU . 48.3 t -119.96 103.34 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 107' ' ' ASP . 6.1 t -104.97 159.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.2 m-20 -121.39 94.24 4.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -84.74 132.19 34.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -120.61 -175.9 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -78.67 -12.09 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -88.88 20.57 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m 49.8 28.8 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -102.4 144.17 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -141.03 108.46 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 116' ' ' VAL . 11.7 t -118.14 82.67 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 116' ' ' VAL . 14.4 p -36.42 122.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mt -78.75 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -171.23 -165.54 28.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -158.11 164.63 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 103' ' ' LEU . 54.0 t -135.78 111.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.421 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 4.7 p -108.66 141.09 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.436 ' C ' HG23 ' A' ' 100' ' ' THR . 7.3 p -154.21 124.39 3.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 127.13 14.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.6 mt -84.86 21.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.55 -54.53 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.91 -46.54 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.1 t -46.38 151.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -95.69 80.07 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 130' ' ' VAL . 23.6 mt -51.75 -55.21 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 129' ' ' LEU . 14.6 t -35.33 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -86.03 -66.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.96 172.63 27.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.595 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -135.87 60.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.442 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -83.68 102.76 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.3 p90 -152.41 178.66 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.3 m95 -123.27 129.5 51.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.467 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 33.6 mttt -125.26 165.22 18.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -105.12 132.43 51.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 105' ' ' VAL . 4.7 mp -59.54 137.12 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.0 pt -108.73 152.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.19 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.7 t -73.64 137.73 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -121.83 -160.05 10.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -0.89 7.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.279 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.3 p -52.56 102.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 80.5 p -86.38 -176.94 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -158.22 157.13 32.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -126.16 156.73 39.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.19 173.0 25.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -141.33 173.01 11.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -105.08 117.67 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.81 43.22 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -159.58 170.64 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 163.3 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' GLN . 14.6 p90 -89.29 -47.42 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.9 tp60 33.69 40.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 117' ' ' ILE . 21.1 mt -52.94 -56.01 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.96 -165.42 36.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mtp -140.15 157.62 45.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 tp -142.62 129.38 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 5.0 t-160 -89.19 130.46 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -155.01 164.96 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 p -145.3 129.05 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' THR . 5.2 t -111.5 115.32 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -139.74 133.23 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -99.66 135.47 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.38 113.35 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.89 -41.44 78.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.32 -40.49 64.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.637 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 36.0 m80 -100.52 -2.37 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 4.3 p-10 46.79 44.44 14.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.637 ' CD2' ' HB3' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -138.03 170.18 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -99.2 119.97 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -97.15 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.01 102.66 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -99.96 123.62 44.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.72 109.17 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.624 HG22 ' N ' ' A' ' 34' ' ' GLU . 29.3 mt -86.6 166.91 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.624 ' N ' HG22 ' A' ' 33' ' ' ILE . 6.9 pt-20 -59.24 161.87 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.46 -179.83 5.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -166.1 175.9 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 63.85 35.86 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 81' ' ' PRO . 90.3 mt -99.65 131.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.0 22.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.51 18.68 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.409 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 79.95 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.428 HG13 ' CD ' ' A' ' 49' ' ' GLN . 19.2 mm -149.03 144.03 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' HIS . 90.6 p -77.93 159.13 29.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' SER . 9.4 t-80 -36.01 -40.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -117.96 121.36 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.48 -175.3 22.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -121.21 177.8 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -41.32 124.06 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' CD ' HG13 ' A' ' 42' ' ' ILE . 35.7 mt-30 -87.74 116.09 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -117.1 -60.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.3 mmt -107.69 78.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.24 153.46 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -169.24 162.95 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 p -164.88 160.4 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 12.7 m-20 -114.75 84.05 9.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.81 48.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 40.2 p90 -144.8 146.33 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 105' ' ' VAL . 70.8 t -99.59 140.6 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -109.12 150.82 27.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.81 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.8 p -165.54 168.59 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 143.76 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 58.3 mt -120.29 155.33 56.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo -69.7 -46.99 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.383 -0.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 99' ' ' ARG . 20.5 p-10 -63.7 123.33 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' LYS . 9.7 mt-30 -107.62 29.63 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 24.3 tptt -37.46 -70.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -82.78 118.71 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -116.63 122.55 44.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 2.0 tpmt? -111.72 147.27 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -151.21 156.42 40.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.2 p -103.81 130.15 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.22 154.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 74' ' ' VAL . 2.9 m -75.08 128.21 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 34.8 mmtt -81.35 167.07 19.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' LYS . 17.6 mmm-85 -77.4 165.58 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -31.6 120.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -174.16 153.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.88 -29.04 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -134.67 108.36 10.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.669 ' HD2' HD12 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 135.81 31.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 34' ' ' GLU . 2.3 p -134.7 93.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -90.36 -45.5 8.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 49.8 42.4 23.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.88 160.53 14.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 87' ' ' TYR . 20.2 ttm180 -110.06 151.84 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.437 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 76.4 m-85 -142.32 162.02 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 p -139.22 145.47 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -134.62 127.67 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.62 81.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.9 tt -140.03 132.1 14.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.84 130.87 19.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 73.7 t80 -37.2 -57.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -36.33 -55.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.13 -50.26 55.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.517 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -39.32 -48.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.535 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 76.4 mt-30 -55.17 -42.66 73.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.63 -5.68 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 65' ' ' ASP . 21.3 mmm-85 -101.37 155.7 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.619 HG23 ' C ' ' A' ' 122' ' ' VAL . 96.1 m -119.43 133.47 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 103' ' ' LEU . 11.0 tp -81.08 98.53 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.9 tp -103.17 128.0 50.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 102' ' ' LEU . 2.9 mp -121.47 150.93 40.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 m -141.29 131.38 24.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 58' ' ' VAL . 57.8 t -107.52 102.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.446 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.0 t -102.45 158.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.8 139.09 39.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.6 133.09 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.73 -179.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.78 132.05 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 47.19 39.76 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.9 t -81.65 72.28 8.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -44.22 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -162.29 119.64 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 34.7 t -131.22 81.11 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.23 79.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.712 ' O ' HD13 ' A' ' 12' ' ' LEU . 52.0 mt -44.78 -41.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.46 -177.89 48.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -151.44 164.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.2 t -145.22 109.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -106.5 133.91 50.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.619 ' C ' HG23 ' A' ' 100' ' ' THR . 7.7 p -136.68 123.26 13.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 37.4 mt -95.29 19.22 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 24.4 p -103.2 -5.57 23.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -116.83 -22.12 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.0 p -103.47 140.43 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.6 115.23 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 132' ' ' GLY . 11.6 mt -73.6 -55.88 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.5 m -41.46 -37.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -73.75 -33.35 64.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 106.06 134.07 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.44 138.95 14.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -163.85 105.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.475 ' NE1' ' HE2' ' A' ' 137' ' ' LYS . 41.4 p90 -153.22 173.3 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.582 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 10.6 m95 -110.4 138.93 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.475 ' HE2' ' NE1' ' A' ' 135' ' ' TRP . 16.2 mttm -135.2 162.8 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.12 124.7 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.546 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.2 mp -56.87 133.98 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.1 pt -106.42 151.21 40.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 109.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -71.21 136.75 48.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.33 153.36 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 142.55 48.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.1 m -126.44 168.35 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.8 m -112.54 96.28 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -142.58 168.36 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -138.88 167.91 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.74 136.74 5.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 p -82.89 127.94 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -117.92 89.03 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.7 -154.14 6.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -98.52 -55.37 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 10.3 tppt? -172.02 158.43 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 10' ' ' TYR . 25.1 p90 -90.18 102.62 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -95.94 44.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.87 -57.08 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.83 -158.34 28.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtp -142.89 148.07 36.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 35' ' ' ALA . 13.6 tp -126.72 136.06 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -96.26 132.4 41.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -156.91 154.95 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 p -135.1 126.54 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.575 ' HB ' HD22 ' A' ' 101' ' ' LEU . 6.1 t -108.95 119.09 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -137.77 129.44 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 19.4 t80 -102.15 133.25 47.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 6.8 t0 -91.03 132.72 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 HG12 ' A' ' 130' ' ' VAL . 3.4 mm? -88.84 -28.37 20.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -46.7 81.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -95.65 -13.0 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 60.7 48.77 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.9 p-80 -136.24 177.17 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -105.78 116.87 32.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 m -100.26 98.45 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.56 106.45 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -97.33 106.35 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.562 HG11 HG21 ' A' ' 72' ' ' THR . 65.4 t -73.08 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 34' ' ' GLU . 48.0 mt -116.26 165.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.633 ' N ' HG22 ' A' ' 33' ' ' ILE . 9.3 pt-20 -58.46 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.26 -179.41 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 4.1 ptp180 -161.88 167.1 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.22 36.87 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.668 HD12 ' CD ' ' A' ' 81' ' ' PRO . 90.7 mt -100.79 132.43 22.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 141.29 44.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 53.5 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 85.63 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 43' ' ' SER . 29.5 mt -135.82 162.39 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' HG22 ' A' ' 42' ' ' ILE . 24.5 m -97.65 163.97 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -46.29 -31.9 2.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.07 -64.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.44 132.43 7.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -171.92 -175.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -87.77 146.35 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 4.3 pt20 -117.33 56.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.47 -45.04 95.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ptm -122.53 64.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -140.15 115.32 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 77' ' ' LYS . 2.2 p-80 -80.37 167.28 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -135.27 104.49 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 74' ' ' VAL . 28.7 p30 -114.35 66.01 1.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 46.9 p90 -171.88 133.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 105' ' ' VAL . 42.3 t -94.19 134.77 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' C ' HG13 ' A' ' 60' ' ' ILE . 20.3 mtpp -103.88 163.95 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 59' ' ' LYS . 7.4 mt -136.97 137.4 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.89 136.24 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 52.0 mt -88.32 96.28 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.8 mm? -71.9 156.44 90.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo -69.74 -42.95 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.328 -0.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 4.7 p-10 -35.06 118.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 27.8 mp0 -103.42 -1.32 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.95 -69.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.26 93.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.9 p -109.66 127.7 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -128.51 168.35 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -147.96 161.52 41.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.562 HG21 HG11 ' A' ' 32' ' ' VAL . 44.3 p -96.58 -0.74 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.57 173.09 44.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 55' ' ' ASN . 11.3 p -104.42 130.0 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -95.45 164.08 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.6 mpt_? -76.63 165.85 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ARG . 16.8 ttpt -30.26 116.48 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -171.62 145.48 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -87.22 -16.13 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' O ' ' CD ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -125.76 106.66 26.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.668 ' CD ' HD12 ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.79 107.31 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 34' ' ' GLU . 7.7 p -120.04 118.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CE2' ' OG1' ' A' ' 72' ' ' THR . 0.1 OUTLIER -115.7 -44.93 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.51 51.88 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -107.39 172.79 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -130.73 128.44 40.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.61 155.79 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 p -125.86 149.28 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.6 m-85 -141.21 130.33 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -79.21 90.54 4.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.53 132.29 8.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 131.9 22.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 92' ' ' PRO . 59.6 t80 -35.96 -55.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PHE . 25.1 mt -36.62 -54.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.461 ' CG ' ' NH1' ' A' ' 99' ' ' ARG . 27.0 tt0 -64.14 -44.86 90.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.17 -46.96 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -59.7 -33.52 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 95' ' ' GLU . 37.0 mtp180 -78.44 -32.83 48.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.461 ' NH1' ' CG ' ' A' ' 95' ' ' GLU . 46.6 mmt-85 -80.69 169.39 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.2 m -128.83 151.53 49.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.575 HD22 ' HB ' ' A' ' 19' ' ' THR . 10.7 tp -99.44 101.79 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 121' ' ' SER . 13.9 tp -111.2 139.04 46.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mp -131.92 102.67 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.462 ' CG2' HG23 ' A' ' 116' ' ' VAL . 92.9 m -89.5 126.61 35.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 58' ' ' VAL . 54.6 t -94.87 102.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.478 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 6.2 t -114.82 141.81 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -131.34 126.14 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -68.05 95.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 -68.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 111' ' ' PHE . 3.4 tppp? -67.38 112.33 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.55 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 16.7 m-85 40.14 31.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 81.6 p 41.28 46.64 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -106.22 -75.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -167.86 125.56 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' VAL . 3.5 m -133.92 39.71 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 104' ' ' THR . 2.9 p -35.2 116.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.0 mt -78.49 -39.94 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.66 -178.82 45.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -145.23 140.3 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 102' ' ' LEU . 40.8 t -121.45 117.72 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.455 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 29.1 p -107.52 152.26 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.558 HG21 ' HZ2' ' A' ' 135' ' ' TRP . 1.3 p -158.84 121.46 1.98 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.11 12.96 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.74 2.293 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.419 HD22 HD21 ' A' ' 129' ' ' LEU . 25.7 mt -84.77 21.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.3 m -85.0 -51.72 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -74.84 -51.2 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.414 HG21 ' CH2' ' A' ' 135' ' ' TRP . 75.0 t -53.81 145.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.75 81.38 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.419 HD21 HD22 ' A' ' 124' ' ' LEU . 13.9 mt -45.38 -51.4 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.513 HG12 HD21 ' A' ' 23' ' ' LEU . 31.1 m -51.01 -35.72 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -88.08 -10.0 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.54 160.52 34.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -137.87 140.26 11.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.438 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.1 t-160 -164.92 108.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.558 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 39.1 p90 -153.11 178.2 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.537 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 14.3 m95 -120.26 129.17 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.426 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 12.3 mttm -125.05 173.2 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.93 137.33 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.84 153.88 43.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.41 HG22 ' CE2' ' A' ' 10' ' ' TYR . 8.3 pt -132.42 153.34 81.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t -66.77 -52.65 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 148.09 153.76 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -60.59 135.79 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 51.0 p -72.8 -50.1 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -121.17 104.03 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.822 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -102.5 113.54 26.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.06 -102.16 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m 52.54 45.35 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -88.22 114.37 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.5 -131.26 2.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -61.41 165.09 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.801 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 2.9 tppp? -152.22 158.54 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.1 m-85 -52.7 -178.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -125.52 69.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.07 -29.74 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.13 -160.75 22.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.414 ' HA ' HD12 ' A' ' 139' ' ' LEU . 49.8 mtp -141.71 156.89 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 tp -135.89 133.23 37.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.742 ' ND1' HG21 ' A' ' 33' ' ' ILE . 9.6 t-160 -89.26 125.79 35.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.64 ' CZ ' HG11 ' A' ' 120' ' ' VAL . 27.2 p90 -157.67 154.02 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.588 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 3.2 p -141.05 141.91 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 19' ' ' THR . 8.9 t -117.21 110.37 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -127.8 154.01 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -122.31 126.84 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.66 109.15 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' N ' HD22 ' A' ' 23' ' ' LEU . 2.8 mm? -69.36 -33.27 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.06 -45.19 89.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.39 -11.75 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -139.49 167.74 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -94.14 126.05 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -112.65 105.58 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -106.03 103.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -90.24 109.26 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -73.08 111.62 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.742 HG21 ' ND1' ' A' ' 16' ' ' HIS . 41.3 mt -91.13 165.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.612 ' N ' HG22 ' A' ' 33' ' ' ILE . 7.2 pt-20 -60.38 -174.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.56 -179.25 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NE ' ' CH2' ' A' ' 136' ' ' TRP . 21.5 ptt180 -163.83 175.39 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.42 35.7 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.97 123.17 61.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.78 67.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.03 58.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' C ' HD13 ' A' ' 42' ' ' ILE . 54.0 Cg_endo -69.76 87.4 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.519 HD13 ' C ' ' A' ' 41' ' ' PRO . 5.2 mm -109.16 132.53 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' HIS . 3.0 m -79.57 177.21 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.471 ' CE1' ' OD1' ' A' ' 45' ' ' ASP . 39.7 p-80 -37.08 -42.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.471 ' OD1' ' CE1' ' A' ' 44' ' ' HIS . 33.4 p-10 -123.56 118.54 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.47 123.46 1.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -82.09 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt85 -170.01 135.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -106.89 152.24 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -103.74 -38.84 6.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 ptm -133.17 73.19 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.58 117.15 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.477 ' HB3' ' CD ' ' A' ' 77' ' ' LYS . 1.9 p-80 -117.33 176.24 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 p -173.51 166.72 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 84.0 m-20 -108.03 84.25 2.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.48 40.48 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.361 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.746 ' CE1' ' CE2' ' A' ' 108' ' ' PHE . 29.0 p90 -148.6 142.8 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.56 141.88 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -116.04 155.66 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -129.14 135.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.32 139.59 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.611 HD13 HH21 ' A' ' 99' ' ' ARG . 69.9 mt -99.41 144.0 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 64.5 mt -121.75 155.06 60.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo -69.73 -40.48 1.09 Allowed 'Cis proline' 0 C--O 1.231 0.135 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 -0.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.1 105.75 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LYS . 8.7 pt20 -110.57 12.45 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -37.49 -66.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -85.16 118.04 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -122.17 143.76 49.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -111.96 175.08 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -165.1 156.4 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -90.95 145.53 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.65 157.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 39.5 t -72.66 124.83 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -89.96 163.24 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 78' ' ' THR . 26.2 mmt180 -95.79 165.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' CD ' ' HB3' ' A' ' 53' ' ' HIS . 24.1 ttpt -33.85 107.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 76' ' ' ARG . 12.1 t -167.94 150.83 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -89.17 -43.11 11.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -104.57 92.65 5.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.77 127.5 14.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.19 106.59 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.9 m-85 -100.71 -51.55 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 49.56 48.34 21.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -108.52 148.8 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.01 138.7 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -127.6 161.05 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.576 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.2 p -133.61 148.13 51.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.2 m-85 -142.1 115.38 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -66.57 93.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -146.29 133.04 9.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.9 Cg_endo -69.77 124.89 11.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' LEU . 17.5 t80 -34.49 -61.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' PHE . 77.8 mt -34.28 -45.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -76.08 -50.89 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.569 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -41.36 -30.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -67.44 -44.43 78.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -81.59 12.9 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.611 HH21 HD13 ' A' ' 62' ' ' LEU . 7.7 mmm180 -103.71 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.8 m -139.27 137.94 36.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HB3' HG13 ' A' ' 122' ' ' VAL . 13.0 tp -91.02 115.88 28.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.498 HD23 ' CB ' ' A' ' 121' ' ' SER . 1.4 tm? -122.87 120.78 34.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.459 HD11 ' CG ' ' A' ' 101' ' ' LEU . 2.4 mp -120.24 125.17 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -108.54 147.93 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.1 t -124.02 111.8 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.55 159.28 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -129.44 134.5 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE2' ' CE1' ' A' ' 57' ' ' TYR . 17.3 m-85 -93.62 102.95 15.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.9 -54.63 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -167.82 155.91 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 112' ' ' SER . 44.3 m-85 55.23 27.83 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PHE . 54.8 p 35.89 36.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -51.85 172.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -125.47 58.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 t -100.07 87.78 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.46 138.86 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.8 mt -79.75 -30.95 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.01 173.19 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -144.26 152.24 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.64 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 79.4 t -128.7 119.22 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.498 ' CB ' HD23 ' A' ' 102' ' ' LEU . 3.9 p -113.93 133.3 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -144.21 125.76 8.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 111.143 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 138.58 38.11 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 mt -102.32 18.65 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.6 t -74.96 -26.7 59.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.47 -36.81 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.449 HG11 ' CG2' ' A' ' 19' ' ' THR . 23.3 t -37.89 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.75 99.2 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 79.2 mt -84.56 -42.67 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.427 HG12 HD11 ' A' ' 23' ' ' LEU . 27.6 m -69.98 -24.89 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -105.99 -11.73 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.59 164.7 33.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.453 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -139.28 76.69 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 4.0 m80 -94.11 113.24 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.313 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.465 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 12.3 p90 -153.56 179.21 9.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.618 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.2 m95 -130.6 117.69 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -112.72 164.22 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.35 128.39 48.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.2 mp -59.88 137.21 58.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.9 pt -110.49 150.1 41.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -59.27 141.83 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.68 143.81 20.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 118.43 5.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.2 m -74.08 -50.9 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 68.2 p -65.71 -49.11 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -109.43 94.69 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -174.98 145.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -159.38 -99.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.9 p 35.71 42.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -79.46 149.14 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.4 -115.82 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 t -115.19 -54.52 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 8.2 tppt? -171.59 157.48 4.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.8 m-85 -55.81 -53.23 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 57.52 34.59 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 117' ' ' ILE . 42.3 mt -94.61 -33.36 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.83 -148.35 17.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.471 ' HE3' ' HB2' ' A' ' 138' ' ' ALA . 48.6 mtp -153.15 136.16 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.3 136.63 49.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.666 ' ND1' HG21 ' A' ' 33' ' ' ILE . 7.5 t-160 -97.44 132.72 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD2' HD21 ' A' ' 101' ' ' LEU . 33.5 p90 -158.17 158.09 33.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -141.39 129.72 22.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -110.99 117.27 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -138.79 124.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.0 t80 -98.6 128.69 45.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.5 m-20 -95.65 126.28 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.01 -31.51 30.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -50.68 -43.11 57.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -116.44 15.18 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 40.3 49.54 2.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.7 p-80 -131.61 163.29 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.29 115.28 29.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -94.34 96.9 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -101.78 103.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -92.03 102.14 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 60' ' ' ILE . 48.6 t -66.82 103.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.666 HG21 ' ND1' ' A' ' 16' ' ' HIS . 28.2 mt -78.04 166.74 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.779 ' HB2' HG22 ' A' ' 82' ' ' VAL . 12.1 pt-20 -69.52 -175.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.59 177.04 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -166.48 163.55 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 70.71 47.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.916 HD22 HG21 ' A' ' 117' ' ' ILE . 42.0 mt -98.56 149.5 35.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.957 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 117' ' ' ILE . 53.6 Cg_endo -69.79 129.89 18.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 170.23 16.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 91.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.0 mm -139.33 139.17 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -109.93 -68.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -163.4 116.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 49.18 38.54 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.52 129.55 3.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.2 m -59.88 -56.42 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -170.63 169.6 7.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.705 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -145.83 154.91 42.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -85.91 -65.18 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.414 ' HB2' ' ND1' ' A' ' 53' ' ' HIS . 6.7 ptm -118.65 -12.92 9.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.705 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . 52.86 38.4 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' A' ' 51' ' ' MET . 25.2 m170 -115.92 173.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 t -166.66 -175.02 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 9.1 p-10 -108.13 82.43 1.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.32 21.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 27.5 p90 -166.99 132.96 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -99.86 142.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -113.8 164.09 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 32' ' ' VAL . 5.0 mt -134.6 113.06 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.7 m -122.96 139.33 54.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 mt -107.78 91.73 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 79.8 mt -57.88 152.82 36.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo -69.73 -26.0 7.66 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.362 -0.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.76 117.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' LYS . 8.8 mm100 -121.52 -44.48 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' GLN . 22.6 mtmm -34.05 -61.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -82.05 107.82 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.8 p -113.76 147.78 37.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.2 tppt? -105.91 148.97 27.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.446 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 8.9 tt0 -137.42 145.88 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.8 p -84.66 -58.82 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.87 -175.24 45.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 84.2 t -108.2 121.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 16.4 mmtp -80.63 168.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 21.2 mmt85 -118.97 109.68 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.9 mttp 35.39 55.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -115.23 137.14 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD3' HG23 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -129.58 107.94 17.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.55 0.69 . . . . 0.0 110.908 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.593 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.8 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 34' ' ' GLU . 87.2 t -101.35 72.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 74.7 m-85 -69.44 -50.89 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 51.4 41.69 28.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -108.62 147.95 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.25 150.66 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.87 150.43 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.0 p -124.16 157.37 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.634 ' O ' HG22 ' A' ' 91' ' ' ILE . 58.7 m-85 -148.54 112.78 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.59 82.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.6 tt -136.39 132.2 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' LEU . 54.3 t80 -39.02 -60.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -34.8 -47.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.47 -45.17 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.14 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -56.59 -41.09 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -70.99 -43.82 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.8 169.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 122' ' ' VAL . 89.8 m -138.46 139.27 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 ' CD2' ' A' ' 17' ' ' PHE . 17.8 tp -81.74 113.07 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 111.99 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mp -108.17 128.08 54.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 106' ' ' VAL . 54.2 m -117.64 130.47 56.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.12 102.41 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 16.9 t -110.95 135.44 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.06 109.52 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -89.4 90.48 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -74.85 -74.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -175.08 -175.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 60.27 34.67 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.7 p 47.7 35.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -128.47 112.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' A' ' 106' ' ' VAL . 8.3 p80 -116.26 121.22 41.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.29 128.04 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.54 90.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.916 HG21 HD22 ' A' ' 38' ' ' LEU . 28.1 mm -40.08 -55.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.77 -173.83 42.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.63 159.94 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 72.3 t -140.72 133.6 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 p -118.3 150.58 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 100' ' ' THR . 10.9 p -165.08 121.71 1.06 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.46 ' O ' HG23 ' A' ' 127' ' ' VAL . 54.0 Cg_endo -69.74 116.77 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.382 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.595 HD22 HD21 ' A' ' 129' ' ' LEU . 12.6 mt -67.04 -26.93 67.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 126' ' ' GLU . 12.8 p -47.66 -44.73 27.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 127' ' ' VAL . 19.1 pt-20 -85.87 -45.56 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 19' ' ' THR . 79.3 t -45.6 156.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 127' ' ' VAL . 9.5 m-20 -97.7 88.73 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 124' ' ' LEU . 22.0 mt -69.48 -51.03 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.01 -54.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.68 -45.88 60.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 126.95 150.97 7.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.45 125.79 5.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -151.31 107.56 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 137' ' ' LYS . 45.0 p90 -153.09 179.2 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.552 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.9 m95 -121.71 114.66 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 22.4 mttt -109.02 168.86 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . 0.471 ' HB2' ' HE3' ' A' ' 14' ' ' MET . . . -111.28 119.36 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 139' ' ' LEU . 5.4 mp -48.74 164.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.1 pt -137.1 152.23 73.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t -61.91 155.07 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.74 170.49 46.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 114.14 3.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 m -70.43 97.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.9 t -88.87 128.51 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -112.19 152.6 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -98.59 -46.79 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.29 -114.79 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 58.64 40.82 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.81 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -100.83 86.01 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.98 -121.81 0.75 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -68.76 161.13 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -110.87 118.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CG ' ' HD3' ' A' ' 141' ' ' PRO . 13.0 p90 -47.89 102.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.95 52.7 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD22 ' O ' ' A' ' 117' ' ' ILE . 59.0 mt -68.03 -42.38 80.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.36 -158.23 23.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.429 ' HA ' HD12 ' A' ' 139' ' ' LEU . 63.4 mtp -140.13 146.62 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 35' ' ' ALA . 15.4 tp -123.86 139.86 53.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.4 t-160 -98.03 133.21 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.87 154.74 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -134.77 120.39 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' THR . 9.8 t -100.64 113.14 25.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -135.96 131.73 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 10.9 t80 -103.41 138.65 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.7 m-20 -107.17 132.5 52.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -86.52 -37.94 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 24' ' ' LEU . 2.4 tm? -43.09 -42.85 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -113.31 -0.34 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.3 43.89 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -126.74 168.46 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' HG23 ' A' ' 30' ' ' VAL . 35.5 tp -97.78 113.92 25.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 m -92.2 98.26 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG23 ' HG ' ' A' ' 28' ' ' LEU . 96.4 t -108.76 105.48 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -95.74 116.16 28.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.35 112.24 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 34' ' ' GLU . 33.3 mt -90.73 164.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.632 ' HB3' HG23 ' A' ' 82' ' ' VAL . 16.9 pt-20 -62.13 -177.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -151.73 -179.15 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -164.06 160.92 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 73.14 42.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 117' ' ' ILE . 24.8 mt -100.72 135.9 19.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 159.11 54.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' C ' HG13 ' A' ' 42' ' ' ILE . 54.1 Cg_endo -69.8 81.17 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.284 . . . . 0.0 112.374 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 43' ' ' SER . 30.3 mt -144.6 160.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 42' ' ' ILE . 5.4 t -67.76 -68.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -78.46 -179.93 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.92 123.66 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.0 -176.75 18.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -89.16 155.28 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -39.24 115.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -98.37 149.81 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.18 -29.57 12.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.6 mtm -87.94 46.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -171.92 107.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -112.36 172.8 6.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 85.4 p -172.55 160.4 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -106.9 84.63 1.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 54' ' ' SER . 53.6 Cg_endo -69.8 156.41 63.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 48.6 p90 -154.33 152.89 30.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.8 144.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' HG13 ' A' ' 60' ' ' ILE . 5.3 mtmp? -111.05 162.22 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.441 HG13 ' C ' ' A' ' 59' ' ' LYS . 5.1 mt -138.18 113.07 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.1 m -125.99 136.87 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.5 mt -105.05 91.64 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 33.2 mt -62.87 155.01 73.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.552 0.692 . . . . 0.0 110.947 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo -69.75 -33.13 3.53 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.404 -0.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' PRO . 5.5 m-20 -34.14 116.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' LYS . 33.6 mt-30 -111.7 -46.33 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -34.11 -69.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -70.35 108.59 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.4 p -121.12 137.88 54.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.598 ' HE3' ' CD2' ' A' ' 87' ' ' TYR . 10.9 tptp -104.41 146.82 28.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.474 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.0 pt20 -143.41 142.11 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.582 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 67.2 p -81.31 -178.07 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.36 -156.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.85 143.0 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -115.3 157.1 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LYS . 1.6 mpt_? -76.21 163.53 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.3 pmtp? -29.35 130.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -176.7 163.44 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -99.33 -42.16 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -110.5 106.49 57.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.476 ' CD ' HD12 ' A' ' 38' ' ' LEU . 53.5 Cg_endo -69.82 122.76 9.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 34' ' ' GLU . 2.0 p -137.85 107.07 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -106.83 -46.18 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 58.22 49.63 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -107.66 153.18 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -103.79 134.98 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.598 ' CD2' ' HE3' ' A' ' 70' ' ' LYS . 68.3 m-85 -126.88 155.73 42.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 p -131.8 153.44 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 88' ' ' THR . 26.7 m-85 -144.0 128.66 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.11 83.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.5 tt -137.16 132.2 17.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.59 28.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 41.8 t80 -38.71 -64.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' H ' ' CD1' ' A' ' 94' ' ' LEU . 9.4 mp -36.03 -44.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.6 -49.07 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -43.21 -44.95 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -60.25 -47.75 84.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -65.98 -31.22 72.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -78.53 157.71 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 122' ' ' VAL . 27.2 m -121.13 143.64 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.5 ' CD2' HD11 ' A' ' 103' ' ' LEU . 21.8 tp -86.89 108.98 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -115.37 106.35 13.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 101' ' ' LEU . 3.2 mp -101.8 117.11 34.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.4 m -107.8 123.75 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.72 111.05 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 57.4 t -113.7 150.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.64 118.09 35.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -83.3 123.04 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 113' ' ' ARG . 6.0 t70 -96.7 -175.08 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 2.3 mppt? -115.23 -9.75 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.498 ' HB2' ' CD ' ' A' ' 113' ' ' ARG . 87.7 m-85 -105.11 19.63 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m 73.0 36.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.498 ' CD ' ' HB2' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -96.54 -177.55 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.49 148.43 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.7 t -166.28 125.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.1 t -89.36 109.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.661 HG21 HD22 ' A' ' 38' ' ' LEU . 5.5 mm -64.42 -39.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 166.53 170.23 31.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 102' ' ' LEU . 35.9 pttt -136.13 146.87 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.0 t -128.98 120.24 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.484 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 60.4 p -110.19 152.36 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 100' ' ' THR . 3.1 p -163.81 127.78 1.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 125.46 12.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.485 ' HB3' HD21 ' A' ' 129' ' ' LEU . 6.3 mt -87.35 26.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.14 -48.61 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -85.7 -43.34 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.734 HG11 ' HH2' ' A' ' 135' ' ' TRP . 73.8 t -53.97 134.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.59 105.01 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 124' ' ' LEU . 10.2 mt -74.47 -72.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -38.33 -42.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.814 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.518 ' HD2' HG23 ' A' ' 130' ' ' VAL . 5.4 mptt -71.75 -40.1 69.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 115.79 136.27 5.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.72 136.23 12.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.51 ' NE2' HD13 ' A' ' 33' ' ' ILE . 11.0 t-160 -155.69 109.33 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.734 ' HH2' HG11 ' A' ' 127' ' ' VAL . 40.8 p90 -151.8 178.1 9.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.571 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 21.2 m95 -120.92 123.95 43.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -119.04 167.95 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.95 113.49 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' ' 139' ' ' LEU . 5.8 mp -45.09 152.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.7 pt -124.59 151.83 67.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.644 0.735 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.466 ' HD3' ' CG ' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.77 111.69 2.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.305 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t -74.62 128.87 36.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -148.58 -178.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 152.3 69.19 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -75.47 102.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.0 t 50.6 42.06 26.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -140.9 138.86 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -131.82 173.05 11.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -109.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m 56.31 42.21 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -107.76 141.22 39.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 148.43 142.14 3.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' GLY . 80.1 p -36.77 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -165.31 155.75 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.38 149.16 21.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -126.4 74.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.95 -39.43 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.47 -157.71 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.483 ' HE3' ' C ' ' A' ' 137' ' ' LYS . 30.8 mtp -147.0 150.55 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -128.44 136.87 51.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.598 ' ND1' HG21 ' A' ' 33' ' ' ILE . 4.5 t-160 -96.42 131.52 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -157.43 159.12 37.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.2 p -138.77 121.7 16.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 19' ' ' THR . 9.0 t -104.19 115.22 30.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -139.5 126.43 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -92.98 126.79 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 8.4 m-20 -82.7 121.3 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.626 HD11 HG12 ' A' ' 130' ' ' VAL . 3.1 mm? -82.34 -27.57 32.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD23 ' H ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -70.38 -52.0 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.4 m80 -86.26 -2.79 58.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 50.81 50.19 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.7 p-80 -145.83 170.46 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -96.74 114.2 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -95.08 99.42 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -104.23 104.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -97.88 122.3 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.57 126.93 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 34' ' ' GLU . 25.1 mt -105.39 165.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.633 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.4 pt-20 -64.57 161.9 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.7 -179.32 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -164.91 167.06 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 71.56 33.12 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.27 141.67 23.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.62 19.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.78 20.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 82.04 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' CG2' ' HA2' ' A' ' 46' ' ' GLY . 39.5 mm -131.77 137.3 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 t -95.11 171.17 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -43.96 -42.29 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.58 -54.77 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA2' ' CG2' ' A' ' 42' ' ' ILE . . . 95.26 81.43 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' ARG . 83.0 p -90.22 175.67 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' SER . 15.9 ptt180 -37.49 117.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' ASP . 11.8 tt0 -82.3 -54.87 4.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.2 m-20 -34.42 -64.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.9 mtp -89.9 86.2 6.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' ND1' ' A' ' 53' ' ' HIS . . . -144.44 120.87 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 52' ' ' ALA . 18.7 m-70 -146.35 164.23 33.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.3 p -163.1 179.77 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.439 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.2 m-80 -107.72 76.77 0.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.39 16.65 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -172.21 134.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 105' ' ' VAL . 93.8 t -94.14 137.89 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -102.97 159.35 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.31 144.16 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.0 t -169.67 163.36 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 mt -123.19 96.69 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 46.1 mt -58.81 155.68 29.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo -69.75 -35.85 2.55 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.358 -0.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' PRO . 9.7 t0 -37.22 112.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -96.31 -34.7 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -69.7 -174.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.07 26.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.0 p -85.57 158.86 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -104.34 178.19 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -163.87 132.35 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.4 p -66.73 150.69 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.11 160.28 27.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 88.6 t -74.85 126.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -89.0 169.15 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' LYS . 19.4 mmm180 -85.76 161.8 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ARG . 13.1 mptt -37.08 114.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -175.24 159.62 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -91.3 -45.0 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 20.1 mttp -102.7 105.38 44.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.79 136.5 33.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 34' ' ' GLU . 93.8 t -134.43 95.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -96.36 -59.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 60.86 39.89 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 6.4 tp10 -103.19 153.34 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 43.2 ttp180 -104.24 148.33 26.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -137.31 154.47 50.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 3.3 p -128.7 163.95 24.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 88' ' ' THR . 65.5 m-85 -157.74 126.77 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -72.99 82.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -137.56 132.34 17.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.51 28.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 77.4 t80 -39.22 -45.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.4 -52.17 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 99' ' ' ARG . 16.5 tt0 -64.09 -54.78 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.38 -45.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.595 ' OE1' ' CD2' ' A' ' 93' ' ' PHE . 31.0 mt-30 -53.28 -57.34 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.43 -26.62 66.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.42 ' CG ' ' HG2' ' A' ' 95' ' ' GLU . 21.5 mmt85 -73.15 139.98 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -106.75 124.47 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.663 ' HG ' HD11 ' A' ' 103' ' ' LEU . 67.2 tp -65.96 115.86 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 120' ' ' VAL . 0.6 OUTLIER -117.32 122.11 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.663 HD11 ' HG ' ' A' ' 101' ' ' LEU . 1.1 mp -127.98 101.2 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -99.62 129.9 45.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 58' ' ' VAL . 76.9 t -98.66 103.51 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.07 133.54 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.8 131.81 44.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 34.7 t80 -79.09 115.02 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 1.4 m-20 -79.43 -177.37 5.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.02 -42.17 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -79.82 47.12 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.1 m 40.78 46.66 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -113.09 162.43 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -128.49 138.32 52.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.55 134.61 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.4 t -105.55 88.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 mt -44.38 -60.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.0 -179.43 38.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -152.69 153.73 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.47 ' O ' HD22 ' A' ' 102' ' ' LEU . 63.9 t -123.94 132.84 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.456 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 73.7 p -129.19 116.94 19.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.56 HG22 ' HE3' ' A' ' 137' ' ' LYS . 37.8 t -131.33 126.9 21.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.72 13.67 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 101' ' ' LEU . 8.0 mt -96.37 26.15 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.75 -12.56 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -125.54 -33.85 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.777 HG11 ' HH2' ' A' ' 135' ' ' TRP . 88.9 t -56.11 137.12 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.77 90.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 124' ' ' LEU . 46.4 mt -74.58 -66.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.626 HG12 HD11 ' A' ' 23' ' ' LEU . 8.5 m -40.24 -41.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -82.44 -29.06 30.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 114.42 161.32 13.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.96 132.85 6.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -153.75 109.24 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.777 ' HH2' HG11 ' A' ' 127' ' ' VAL . 42.8 p90 -152.89 179.35 8.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.9 m95 -122.0 122.28 38.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 122' ' ' VAL . 12.3 mttm -117.93 176.56 5.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.2 142.19 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.31 140.71 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.0 pt -113.73 151.0 44.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.689 0.757 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.32 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.0 t -61.2 134.93 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.96 152.95 39.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.7 p -174.53 142.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.0 t -60.15 144.9 48.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -154.05 161.58 41.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -105.03 140.45 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.97 -76.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -52.17 -45.45 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -83.46 -52.41 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.44 86.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 m -128.3 149.41 50.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -79.73 147.58 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -47.81 -58.6 4.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 63.44 38.98 9.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -94.38 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.12 -157.85 27.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.6 mtp -149.77 144.01 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 35' ' ' ALA . 13.6 tp -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.617 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 12.8 t-160 -93.76 127.62 39.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -159.37 172.39 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.9 p -150.31 132.92 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.453 ' HB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t -105.76 116.47 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -139.65 119.81 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -91.48 134.37 34.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 m-20 -99.2 129.92 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD21 HG22 ' A' ' 130' ' ' VAL . 3.8 mm? -85.63 -39.98 16.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -42.58 -43.47 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 11.7 m80 -111.67 -7.71 14.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 62.35 37.72 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -118.38 169.35 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -101.99 116.63 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.77 97.95 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.82 102.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -92.33 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.8 t -84.38 102.72 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 34' ' ' GLU . 11.7 mt -80.64 164.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.576 ' N ' HG22 ' A' ' 33' ' ' ILE . 6.2 pt-20 -54.4 173.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.725 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -149.31 176.09 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -157.5 172.03 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 70.93 41.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.32 129.42 29.28 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.18 69.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 169.41 19.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' HD3' ' CE1' ' A' ' 53' ' ' HIS . 53.6 Cg_endo -69.79 80.26 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 45' ' ' ASP . 29.3 mm -119.47 144.02 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 t -125.54 -48.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -109.05 -64.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -119.88 156.14 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.14 79.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -69.52 -56.57 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -129.33 104.27 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' A' ' 52' ' ' ALA . 4.7 tt0 -130.37 116.26 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.93 -33.29 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 ptp -85.81 44.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' HIS . . . -153.61 114.69 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 14.5 m-70 -173.81 146.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.442 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 13.6 p -106.11 -74.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.551 ' HB3' HG13 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -163.95 105.23 0.91 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.1 Cg_endo -69.8 135.64 30.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -152.27 136.27 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 105' ' ' VAL . 58.8 t -97.87 139.87 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' HG13 ' A' ' 60' ' ' ILE . 14.3 mtpp -99.31 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' LYS . 10.6 mt -137.88 118.24 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -133.82 132.31 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.19 91.67 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 26.4 mt -58.83 154.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo -69.75 -24.22 8.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.341 -0.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 99' ' ' ARG . 12.5 m-20 -46.58 118.93 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 -44.68 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.57 -58.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.74 115.34 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -140.32 143.96 36.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ILE . 8.0 tppt? -112.63 144.15 42.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.9 pt20 -129.7 150.79 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -83.47 166.7 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.31 -170.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' A' ' 55' ' ' ASN . 92.7 t -124.58 122.48 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -106.93 169.3 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' LYS . 55.6 mmm-85 -76.28 156.53 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' ARG . 15.2 pttt -36.48 115.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 78' ' ' THR . 12.3 t -163.68 117.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -45.64 -55.41 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 4.0 mptt -99.74 100.23 10.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.75 154.5 67.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.1 t -131.43 92.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 20.1 m-85 -98.6 -51.71 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER 33.57 47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -102.28 168.39 9.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -136.0 151.84 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 p -128.0 148.59 50.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -141.12 123.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -71.46 94.81 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 1.5 tt -154.19 133.04 7.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 139.21 39.68 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.478 ' O ' ' C ' ' A' ' 94' ' ' LEU . 31.5 t80 -37.39 -64.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' PHE . 8.6 mp -31.93 -54.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE2' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -61.42 -52.46 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.58 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -47.71 -41.49 22.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -71.75 -35.33 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 95' ' ' GLU . 18.2 mmt85 -74.39 150.78 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 122' ' ' VAL . 41.6 m -116.87 131.93 56.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' HD11 ' A' ' 124' ' ' LEU . 11.2 tp -78.94 105.03 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 119' ' ' LYS . 3.9 tt -121.48 124.88 45.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.467 HD11 HD11 ' A' ' 101' ' ' LEU . 4.5 mp -115.45 114.68 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.9 m -101.33 111.51 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 58' ' ' VAL . 47.4 t -80.49 110.69 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 115' ' ' CYS . 44.0 t -127.36 142.42 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' PHE . 18.4 p-10 -83.49 151.62 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 107' ' ' ASP . 66.0 t80 -34.31 125.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -41.62 131.78 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -148.19 123.92 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 47.15 41.6 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 t 44.87 43.51 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 114' ' ' HIS . 30.6 mmt-85 -101.03 -29.1 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ARG . 1.2 m80 35.27 42.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.42 ' O ' HG13 ' A' ' 106' ' ' VAL . 97.8 m -38.98 113.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.99 89.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 58.5 mt -50.18 -52.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -179.19 178.93 48.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.694 ' HB2' HD21 ' A' ' 102' ' ' LEU . 9.2 pttp -142.77 160.37 40.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.6 t -134.47 100.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.466 ' HB3' HD12 ' A' ' 102' ' ' LEU . 90.3 p -96.35 143.33 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 100' ' ' THR . 14.4 p -152.23 130.17 6.04 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.746 2.297 . . . . 0.0 112.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.792 ' O ' HD11 ' A' ' 129' ' ' LEU . 11.1 mt -88.47 34.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.2 p -116.21 -22.8 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.84 -45.6 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.789 HG21 ' CH2' ' A' ' 135' ' ' TRP . 10.2 p -67.7 145.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.14 99.35 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 124' ' ' LEU . 10.2 mt -75.21 -52.6 10.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.504 HG22 HD21 ' A' ' 23' ' ' LEU . 87.8 t -47.13 -38.91 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -80.86 -68.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.02 165.81 18.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.629 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -145.22 61.22 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.6 t-80 -83.63 98.7 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.789 ' CH2' HG21 ' A' ' 127' ' ' VAL . 9.1 p90 -147.81 174.02 12.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.617 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.7 m95 -115.02 132.93 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.427 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.3 mttt -127.51 156.82 41.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.29 126.83 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.498 HD21 ' CG2' ' A' ' 105' ' ' VAL . 4.4 mp -56.24 157.3 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 5.9 pt -135.46 152.72 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.072 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -52.63 149.15 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -146.28 157.53 27.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.72 60.88 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.3 t -57.97 132.36 53.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.0 p -149.89 132.34 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -121.7 -0.86 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -119.87 -59.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.41 -78.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m 47.06 40.67 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -74.23 98.2 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.71 -172.48 44.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -45.98 123.83 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -96.68 177.47 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -98.62 108.26 20.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -109.86 36.26 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -46.69 -52.34 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.26 -156.49 27.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.464 ' HA ' HD12 ' A' ' 139' ' ' LEU . 50.6 mtp -146.01 155.99 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 35' ' ' ALA . 17.2 tp -132.06 141.52 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.6 t-160 -98.28 129.13 45.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.37 168.42 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.39 139.74 20.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 19' ' ' THR . 9.5 t -116.9 114.92 24.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -134.44 126.16 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -96.63 131.53 43.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.47 127.7 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ASN . 3.7 mm? -81.27 -54.87 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.608 HD23 ' H ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -40.62 -44.65 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.608 ' H ' HD23 ' A' ' 24' ' ' LEU . 31.7 m170 -94.79 -10.55 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' LEU . 38.1 m-80 51.25 51.34 17.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -146.28 170.91 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.41 125.87 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.9 m -115.12 101.47 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -96.45 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.01 102.39 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 32' ' ' VAL . 35.9 m -71.62 125.54 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 34' ' ' GLU . 27.8 mt -108.77 165.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.629 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.3 pt-20 -58.43 -178.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.649 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.72 176.97 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -165.8 168.78 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.04 26.38 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.1 127.77 50.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 133.52 25.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 169.39 19.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 105.77 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 mm -128.21 143.74 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -112.58 151.22 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -49.29 -48.61 45.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.78 -48.44 80.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.65 59.36 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.8 m -91.32 106.55 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -120.35 150.74 40.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -134.81 165.36 25.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -41.25 -65.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.9 mmm -121.94 93.97 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.19 96.33 9.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 31.2 m-70 -72.24 161.3 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m -103.98 -42.71 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 108' ' ' PHE . 1.9 p-10 39.9 54.21 5.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 53.7 Cg_endo -69.7 172.77 11.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 28.0 p90 -166.27 132.91 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.755 HG22 HG22 ' A' ' 105' ' ' VAL . 70.8 t -101.1 160.33 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 58' ' ' VAL . 18.3 mtpp -126.35 163.82 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.1 mt -133.52 151.21 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 t -165.66 169.81 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.5 mt -125.81 100.0 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 35.8 mt -65.69 155.73 85.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.4 Cg_endo -69.8 -42.2 0.79 Allowed 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.31 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' PRO . 2.8 m-20 -34.21 121.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 18.9 mp0 -116.57 10.97 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -70.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.78 108.17 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 p -131.26 136.66 48.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -102.93 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -148.63 132.74 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 83' ' ' PHE . 69.0 p -83.5 142.74 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -40.89 118.78 1.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.8 112.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -74.36 167.67 21.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -131.91 139.31 48.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 17.5 mttp 59.31 52.74 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -159.96 140.27 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -89.55 -29.96 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.1 ptmt -107.99 94.35 12.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.556 0.694 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 54.3 Cg_endo -69.74 101.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 84' ' ' GLU . 2.3 p -101.46 95.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.519 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 1.4 m-85 -81.59 -42.65 19.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HG3' HG23 ' A' ' 82' ' ' VAL . 25.7 mt-10 43.0 49.36 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 10.3 tp10 -110.65 166.09 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 31.5 ttp180 -121.88 132.91 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -123.02 167.45 13.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.9 p -136.25 147.38 47.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 91' ' ' ILE . 20.8 m-85 -145.44 111.0 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.94 87.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.695 HD11 ' HG2' ' A' ' 95' ' ' GLU . 3.4 tt -134.4 131.37 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.3 Cg_endo -69.73 131.22 20.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 94' ' ' LEU . 71.1 t80 -34.63 -66.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -33.64 -48.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.695 ' HG2' HD11 ' A' ' 91' ' ' ILE . 31.1 tt0 -62.17 -51.25 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -37.77 -51.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -51.99 -50.4 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -65.23 -43.81 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 95' ' ' GLU . 23.6 mmt85 -70.29 153.95 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.523 HG23 ' C ' ' A' ' 122' ' ' VAL . 54.2 m -123.42 142.15 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 tp -91.1 113.92 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 119' ' ' LYS . 5.7 tt -130.01 121.18 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.5 144.22 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.2 m -123.54 119.16 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.755 HG22 HG22 ' A' ' 58' ' ' VAL . 55.5 t -97.08 123.77 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 116' ' ' VAL . 2.8 t -123.56 144.75 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.425 ' CG ' HD11 ' A' ' 117' ' ' ILE . 1.9 m-20 -106.19 92.42 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 10.7 t80 -58.76 127.75 33.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -154.97 167.86 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' PHE . 13.3 tppt? -54.28 135.22 44.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 110' ' ' LYS . 17.5 m-85 34.83 46.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ARG . 47.5 t -96.12 80.67 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' SER . 52.5 mtm180 -34.44 -67.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 4.7 p80 -169.88 106.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 30.2 p -126.62 48.77 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 106' ' ' VAL . 26.6 m -46.82 139.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 107' ' ' ASP . 12.5 mm -75.91 -39.08 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.6 -178.42 43.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.684 ' HB2' HD21 ' A' ' 102' ' ' LEU . 52.6 pttt -139.31 145.56 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.29 104.1 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.51 151.27 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.523 ' C ' HG23 ' A' ' 100' ' ' THR . 7.4 p -158.05 127.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.635 0.731 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.71 11.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.581 HD22 HD21 ' A' ' 129' ' ' LEU . 6.1 mt -85.16 26.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.6 t -84.49 -52.24 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' VAL . 17.8 pt-20 -87.08 -45.29 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 126' ' ' GLU . 49.2 t -36.98 145.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 74.53 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.581 HD21 HD22 ' A' ' 124' ' ' LEU . 84.9 mt -55.99 -47.96 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.6 t -41.96 -39.2 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 -74.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.46 175.62 40.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.586 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -138.73 61.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.412 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t-160 -84.26 104.42 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.586 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.4 p90 -153.18 179.6 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.9 m95 -124.31 131.51 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 15.2 mttm -128.55 164.72 22.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.22 139.44 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 14' ' ' MET . 4.8 mp -74.05 149.97 40.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.3 pt -123.68 151.13 63.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 99.98 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t -62.96 -60.53 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 117.29 -160.31 13.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.7 m -75.92 102.2 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.1 p -112.97 159.13 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.78 -47.57 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.86 -160.81 28.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.0 mtp -145.92 144.56 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -128.9 137.6 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.2 t-160 -94.18 134.65 36.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -159.25 152.76 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.7 p -132.66 128.2 36.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 19' ' ' THR . 14.2 t -109.83 115.08 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.5 136.43 36.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 3.9 t80 -106.38 130.32 54.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -90.3 120.25 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.022 HD21 HG12 ' A' ' 130' ' ' VAL . 3.8 mm? -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.02 -43.56 98.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.57 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 31.6 m170 -90.8 -15.43 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 60.26 45.33 11.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.57 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.7 p-80 -143.47 168.0 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' HD21 ' A' ' 62' ' ' LEU . 34.8 tp -93.58 117.78 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 m -100.94 98.65 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.73 103.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -92.07 124.08 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 72' ' ' THR . 1.8 m -79.77 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 34' ' ' GLU . 18.8 mt -110.01 163.32 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 33' ' ' ILE . 7.7 pt-20 -61.17 -179.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.37 -179.15 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -163.71 170.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 64.81 43.62 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.53 135.46 19.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.75 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD2' HD13 ' A' ' 117' ' ' ILE . 53.7 Cg_endo -69.73 152.28 69.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 3.5 p30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 166.41 27.75 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 0.0 112.391 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.5 155.1 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.39 140.74 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -107.08 164.09 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.97 154.21 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.99 154.67 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 28' ' ' LEU . 16.1 mt -120.48 95.84 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 8.8 mp -58.86 161.81 8.04 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.358 -0.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.77 0.319 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.53 136.18 11.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.637 HG21 HG21 ' A' ' 32' ' ' VAL . 70.1 p -79.03 159.94 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.13 172.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 69.7 t -101.61 118.26 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -83.89 168.14 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.4 mmt85 -83.22 164.98 19.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -34.23 110.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -165.05 150.24 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -84.96 -39.11 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -101.92 99.8 13.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.94 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.54 127.4 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -41.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 55.74 46.07 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 32' ' ' VAL . 7.8 tp10 -104.23 152.68 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -107.23 150.75 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.68 160.7 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.565 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 5.1 p -130.13 155.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.609 ' O ' HG22 ' A' ' 91' ' ' ILE . 50.1 m-85 -154.11 110.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.0 95.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.9 tt -141.39 132.32 13.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.71 126.84 13.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' PRO . 55.2 t80 -34.45 -61.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' PHE . 37.7 mt -34.13 -50.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.87 -48.7 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.02 -54.47 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -50.04 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -76.61 -34.21 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -72.16 165.82 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.449 HG23 ' C ' ' A' ' 122' ' ' VAL . 45.2 m -133.35 137.62 45.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.595 HD22 ' HB ' ' A' ' 19' ' ' THR . 5.4 tp -85.91 111.24 20.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 119' ' ' LYS . 8.1 tp -118.44 131.12 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 102' ' ' LEU . 4.0 mp -119.43 128.64 54.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.4 m -113.28 134.16 54.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.479 ' CG2' HD21 ' A' ' 139' ' ' LEU . 48.4 t -107.79 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 116' ' ' VAL . 15.4 t -122.34 138.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.425 ' HB ' HG22 ' A' ' 106' ' ' VAL . 1.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.865 0.364 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.429 HD13 ' HD2' ' A' ' 39' ' ' PRO . 81.9 mt -70.87 -43.62 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.491 ' C ' HD23 ' A' ' 139' ' ' LEU . . . 178.4 169.51 39.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 102' ' ' LEU . 10.7 ptmt -127.74 166.26 18.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 102' ' ' LEU . 55.3 t -144.1 107.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.506 ' HB3' HD13 ' A' ' 102' ' ' LEU . 80.3 p -103.9 144.98 30.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.501 HG21 ' CZ2' ' A' ' 135' ' ' TRP . 8.7 p -153.31 121.55 3.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.11 18.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.817 ' HB3' HD21 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -91.69 18.44 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.08 -47.93 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.89 -51.88 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.4 t -53.11 150.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.07 99.01 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.817 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.2 mt -64.16 -52.93 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 1.022 HG12 HD21 ' A' ' 23' ' ' LEU . 15.4 m -43.97 -32.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -93.37 -22.91 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 99.14 159.08 29.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -130.68 153.32 20.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.493 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 9.0 t-160 -170.43 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.501 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 35.7 p90 -153.01 179.08 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 17.4 m95 -120.28 133.28 55.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.411 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 44.1 mttt -129.58 163.0 26.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 139' ' ' LEU . . . -108.64 111.13 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 118' ' ' GLY . 4.9 mp -37.25 142.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.8 pt -117.5 152.73 49.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.164 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 38.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -88.91 -42.31 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.53 -156.26 26.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.0 mtp -150.65 146.21 26.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 35' ' ' ALA . 11.3 tp -124.4 141.73 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.1 t-160 -100.12 130.22 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' HG11 ' A' ' 120' ' ' VAL . 33.2 p90 -153.44 155.23 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' ' 33' ' ' ILE . 91.1 p -136.47 119.13 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' THR . 9.6 t -102.63 116.67 33.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' HA3' ' A' ' 132' ' ' GLY . 1.1 tp-100 -138.48 128.22 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -96.71 129.68 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.43 113.36 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HA ' HD13 ' A' ' 23' ' ' LEU . 4.0 mm? -70.81 -39.61 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 24' ' ' LEU . 7.3 tt -52.25 -48.29 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 94.9 m-70 -98.42 -3.95 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 53.6 43.19 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -129.13 175.04 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -107.14 104.34 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.415 HG22 ' HD2' ' A' ' 86' ' ' ARG . 11.1 m -84.39 97.11 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -103.13 106.15 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -97.4 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.12 106.74 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 34' ' ' GLU . 21.7 mt -85.35 166.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.577 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.9 pt-20 -63.82 -178.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.577 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -150.71 177.56 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -162.23 170.78 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 68.54 31.97 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.39 138.94 21.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 143.97 52.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.5 p-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.06 17.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -166.77 136.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 105' ' ' VAL . 66.4 t -94.63 148.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -116.07 163.96 15.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.42 146.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 p -158.72 126.27 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -92.07 97.14 10.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 3.1 mm? -76.36 155.51 83.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.357 -0.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.5 tppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.705 0.288 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.6 pt20 -140.85 150.17 42.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.8 p -87.3 157.27 19.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.65 160.34 37.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.538 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 94.5 t -74.15 127.79 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 14.1 mmmt -91.95 164.9 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.6 mmt180 -80.3 161.26 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' ARG . 52.4 mtmt -35.91 114.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -174.13 146.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.26 -39.82 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.6 ptmt -105.3 99.77 22.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 53.3 Cg_endo -69.8 122.97 9.63 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.521 HG22 ' CB ' ' A' ' 34' ' ' GLU . 59.4 t -124.53 88.22 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 81' ' ' PRO . 1.1 m-85 -81.43 -54.33 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE1' HG12 ' A' ' 82' ' ' VAL . 22.5 mt-10 60.01 45.29 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -108.97 156.08 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HD2' HG22 ' A' ' 29' ' ' THR . 7.7 tpp180 -104.97 143.99 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -141.58 148.51 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.8 p -130.19 166.86 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.584 ' O ' HG22 ' A' ' 91' ' ' ILE . 86.4 m-85 -152.75 122.12 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.7 80.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.3 tt -132.16 132.07 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.37 21.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.418 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CE2' ' NE2' ' A' ' 97' ' ' GLN . 75.4 t80 -38.93 -61.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' ARG . 40.1 tt0 -73.92 -46.02 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.554 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -37.41 -42.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 93' ' ' PHE . 77.0 mt-30 -64.43 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.4 mtm180 -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -90.0 161.86 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.0 m -123.72 148.07 46.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.636 HD23 HG11 ' A' ' 122' ' ' VAL . 9.4 tp -94.59 103.78 15.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 103' ' ' LEU . 1.8 tm? -117.81 127.26 53.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.757 ' N ' HD13 ' A' ' 102' ' ' LEU . 2.4 mp -121.87 127.81 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 m -111.86 126.58 55.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 58' ' ' VAL . 73.1 t -94.04 114.35 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.895 HG22 HG12 ' A' ' 116' ' ' VAL . 40.8 t -117.47 148.51 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.895 HG12 HG22 ' A' ' 106' ' ' VAL . 16.1 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 70.7 mt -78.67 -40.21 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.85 -178.11 48.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -141.83 163.43 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.564 ' O ' HD22 ' A' ' 102' ' ' LEU . 50.6 t -136.95 118.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.583 ' HB3' HD23 ' A' ' 102' ' ' LEU . 95.0 p -107.04 149.33 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.636 HG11 HD23 ' A' ' 101' ' ' LEU . 14.9 p -161.61 120.7 1.46 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 131.21 20.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.763 ' HB3' HD21 ' A' ' 129' ' ' LEU . 4.9 mt -95.75 18.06 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.75 -21.89 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.77 -36.84 6.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.472 HG11 ' HH2' ' A' ' 135' ' ' TRP . 80.5 t -62.06 137.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.63 83.89 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.6 mt -60.46 -40.32 90.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.417 HG22 HD21 ' A' ' 23' ' ' LEU . 63.6 t -58.01 -45.1 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.47 -29.16 41.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.446 ' HA3' ' NE2' ' A' ' 20' ' ' GLN . . . 116.73 161.12 12.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.18 132.22 6.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -157.65 107.15 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.492 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 39.0 p90 -152.17 179.33 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 22.1 m95 -122.45 130.97 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.409 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.0 mttt -126.07 171.83 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.06 128.57 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.42 145.21 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.65 152.09 46.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 90.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.838 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.4 mt -104.91 -48.18 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.46 -148.93 20.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.492 ' HA ' HD12 ' A' ' 139' ' ' LEU . 44.4 mtp -145.86 159.78 42.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 35' ' ' ALA . 22.7 tp -134.52 130.03 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 6.2 t-160 -89.65 134.08 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -159.3 148.61 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -131.25 119.81 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 19' ' ' THR . 6.3 t -108.4 120.55 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.403 ' CG ' ' HA2' ' A' ' 132' ' ' GLY . 11.8 tm0? -143.46 119.67 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 30.5 t80 -81.49 147.75 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.5 m-20 -117.89 136.93 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 23' ' ' LEU . 2.1 mm? -90.8 -28.82 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -45.73 -42.33 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.7 m-70 -121.93 -1.72 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.33 44.91 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -127.43 167.87 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.58 110.1 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.27 100.06 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -100.12 106.66 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -92.13 103.94 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 72' ' ' THR . 92.6 t -68.45 104.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 34' ' ' GLU . 37.9 mt -83.58 165.17 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.602 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.5 pt-20 -66.21 -179.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.539 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -147.0 178.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -160.73 175.46 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.06 41.63 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.945 HD22 HG21 ' A' ' 117' ' ' ILE . 92.8 mt -102.97 140.45 21.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.24 15.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.294 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.479 ' HB3' HG13 ' A' ' 74' ' ' VAL . 8.9 m120 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.34 56.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -150.01 151.03 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 61.6 t -105.88 148.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -115.37 162.56 16.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 32' ' ' VAL . 6.8 mt -133.26 154.36 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -168.8 147.3 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.59 91.95 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 56.9 mt -60.53 154.85 53.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.341 -0.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HE3' ' CD1' ' A' ' 87' ' ' TYR . 8.1 tppt? . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.755 0.312 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.9 pt20 -133.65 140.34 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.554 HG21 HG11 ' A' ' 32' ' ' VAL . 54.5 p -66.77 -52.36 44.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.4 -177.29 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 55' ' ' ASN . 74.4 t -98.3 108.61 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -81.45 167.25 19.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 78' ' ' THR . 26.1 mmm180 -82.18 158.47 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' ARG . 11.1 mptt -35.91 112.67 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 76' ' ' ARG . 14.7 t -175.1 128.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -61.12 -38.95 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -103.39 94.93 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.7 Cg_endo -69.74 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.77 112.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 19.8 m-85 -101.59 -49.79 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.48 41.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -105.43 166.14 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -123.03 145.61 48.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.487 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 75.4 m-85 -143.43 162.78 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.558 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -128.13 162.54 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 88' ' ' THR . 51.4 m-85 -154.26 114.31 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.84 94.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.6 tt -147.27 133.47 9.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.79 131.45 21.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 49.6 t80 -37.27 -60.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.8 mp -36.34 -59.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 98' ' ' ARG . 24.8 tt0 -58.99 -44.43 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . -38.51 -45.16 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.06 -42.02 99.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLU . 54.6 mtt85 -68.62 -33.13 73.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -82.65 158.6 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 122' ' ' VAL . 24.0 m -122.28 144.94 48.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.642 ' O ' HG12 ' A' ' 122' ' ' VAL . 17.7 tp -96.56 103.42 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.4 tt -117.78 128.03 54.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 mp -113.43 112.22 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 106' ' ' VAL . 92.9 m -88.99 111.59 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -84.59 105.82 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.419 HG23 HG22 ' A' ' 104' ' ' THR . 60.0 t -113.97 147.53 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 116' ' ' VAL . 12.9 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.945 HG21 HD22 ' A' ' 38' ' ' LEU . 23.8 mm -80.12 -41.66 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 168.08 177.96 39.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.906 ' HE3' HD11 ' A' ' 140' ' ' ILE . 31.1 pttt -131.77 144.94 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.96 108.39 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.1 p -97.44 149.59 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.705 HG21 ' HZ2' ' A' ' 135' ' ' TRP . 2.3 p -155.87 121.74 2.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 133.82 26.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 129' ' ' LEU . 10.0 mt -100.26 15.91 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.9 -1.11 49.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -122.84 -40.42 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.6 HG11 ' CH2' ' A' ' 135' ' ' TRP . 26.0 t -67.07 131.33 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.28 73.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 124' ' ' LEU . 6.3 mt -49.42 -51.32 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 93' ' ' PHE . 86.8 t -37.97 -43.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -82.98 -66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.403 ' HA2' ' CG ' ' A' ' 20' ' ' GLN . . . 162.32 159.71 10.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -133.41 133.09 6.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.495 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 11.3 t-160 -158.58 106.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.705 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 37.9 p90 -152.86 178.63 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.7 m95 -121.08 129.73 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -124.28 162.0 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.76 136.04 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.4 mp -70.08 154.85 41.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.906 HD11 ' HE3' ' A' ' 119' ' ' LYS . 7.3 pt -131.45 151.79 79.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.12 2.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.816 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.802 0.334 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -50.05 -57.25 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.95 -158.11 28.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtp -143.61 147.35 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' A' ' 35' ' ' ALA . 12.4 tp -129.49 140.06 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.9 t-160 -100.09 134.46 42.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.454 ' CE1' HG11 ' A' ' 120' ' ' VAL . 28.5 p90 -158.71 153.23 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -133.28 121.26 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.1 t -106.18 119.69 39.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -142.48 140.02 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -107.98 139.52 42.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -105.11 130.81 53.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.58 -39.15 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 ' NE2' ' A' ' 25' ' ' HIS . 10.5 tt -48.65 -45.47 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 96.5 m-70 -100.93 -15.68 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 63.62 47.93 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.8 p-80 -139.44 165.83 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.93 113.87 26.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -94.82 99.81 11.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.5 t -101.02 108.67 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -96.37 102.91 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 ' H ' ' A' ' 85' ' ' GLU . 18.9 m -64.78 120.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 34' ' ' GLU . 9.2 mt -101.87 169.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.596 ' H ' HG22 ' A' ' 33' ' ' ILE . 12.6 pt-20 -66.88 178.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.689 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.77 -179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -165.43 169.66 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t0 69.42 41.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -98.76 125.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.22 64.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.486 ' HB2' HG13 ' A' ' 74' ' ' VAL . 3.7 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.8 Cg_endo -69.77 136.71 33.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 13.8 p90 -150.86 134.99 16.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.16 149.35 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' C ' HG13 ' A' ' 60' ' ' ILE . 40.1 mtpt -114.82 160.61 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 59' ' ' LYS . 6.5 mt -137.84 135.04 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -153.63 133.33 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.78 97.23 9.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 77.2 mt -66.07 154.38 89.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.297 -0.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 11.8 tppt? . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.731 0.301 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 5.8 pt20 -128.57 167.53 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.471 HG22 HG21 ' A' ' 32' ' ' VAL . 39.6 p -85.39 -29.37 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.73 -148.24 18.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG13 ' HB2' ' A' ' 55' ' ' ASN . 72.5 t -132.39 137.2 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 39.1 mmtm -127.46 169.22 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 40.7 mmt180 -86.95 163.6 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 26.9 mtmt -35.34 110.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 78' ' ' THR . 14.8 t -159.55 121.79 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.4 -17.97 64.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -127.0 88.33 54.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.28 14.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.56 129.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -128.47 -30.39 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 41.18 54.41 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' H ' HG23 ' A' ' 32' ' ' VAL . 39.2 tp10 -106.8 156.18 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 20.4 ttm180 -113.16 132.2 55.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -126.64 152.57 46.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.467 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.2 p -119.25 151.92 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 88' ' ' THR . 30.2 m-85 -143.94 126.32 15.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.81 94.97 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -148.01 133.74 9.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.597 0.713 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.77 129.76 18.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' PRO . 69.4 t80 -36.45 -56.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -39.61 -58.15 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.23 -45.53 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.14 -44.69 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.18 -44.38 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -70.46 -46.07 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -54.08 164.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 122' ' ' VAL . 92.9 m -135.8 138.76 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HB3' HG13 ' A' ' 122' ' ' VAL . 16.5 tp -80.95 113.3 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -122.99 115.71 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 101' ' ' LEU . 1.7 mp -116.51 103.85 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.7 m -91.42 129.76 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.37 105.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 1.8 t -118.14 143.72 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.42 -43.12 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.25 -176.47 48.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -151.75 163.04 40.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 17' ' ' PHE . 68.9 t -133.97 112.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.408 ' CB ' HD23 ' A' ' 102' ' ' LEU . 3.8 p -103.77 143.78 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 101' ' ' LEU . 2.0 p -155.89 125.71 3.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.5 17.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.929 HD22 HD21 ' A' ' 129' ' ' LEU . 96.6 mt -84.38 15.0 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.9 t -98.07 -10.19 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -101.89 -47.3 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -75.65 137.07 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.07 82.57 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.929 HD21 HD22 ' A' ' 124' ' ' LEU . 8.9 mt -44.15 -51.8 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 129' ' ' LEU . 88.8 t -36.07 -55.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -70.58 -59.13 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.94 156.55 6.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -125.99 135.92 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.53 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.404 ' NE2' ' CE1' ' A' ' 16' ' ' HIS . 9.8 t-160 -164.16 105.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.543 ' CD1' ' HE2' ' A' ' 137' ' ' LYS . 34.1 p90 -152.92 179.2 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 19.8 m95 -117.96 136.23 53.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.543 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 11.9 mttm -135.27 164.23 28.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.43 133.27 46.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.01 148.5 43.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.9 pt -123.06 150.8 60.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 111.154 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 100.58 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.867 0.365 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.2 mt -103.36 -48.27 4.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.85 -147.21 18.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.556 ' HA ' HD12 ' A' ' 139' ' ' LEU . 65.0 mtp -154.32 154.25 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 35' ' ' ALA . 9.3 tp -131.5 135.73 47.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.648 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 6.2 t-160 -94.22 129.14 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -158.68 170.68 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.04 142.67 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.17 116.39 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -135.29 116.83 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 9.6 t80 -90.44 125.12 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.39 133.82 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.71 -33.93 18.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -55.63 -49.69 72.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.4 m-70 -97.55 -10.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m120 58.02 47.49 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -130.99 169.21 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.9 tp -101.0 107.4 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -91.66 100.97 13.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.65 109.62 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.758 HH21 HD11 ' A' ' 33' ' ' ILE . 22.7 ttp180 -95.37 128.25 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -91.59 106.18 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.758 HD11 HH21 ' A' ' 31' ' ' ARG . 56.8 mt -87.42 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.634 ' N ' HG22 ' A' ' 33' ' ' ILE . 18.1 pt-20 -58.57 177.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -147.31 -179.23 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -163.03 176.42 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 64.54 34.73 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD22 HG21 ' A' ' 117' ' ' ILE . 91.2 mt -97.57 136.75 21.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 123.29 9.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.23 8.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -171.28 153.68 3.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 105' ' ' VAL . 60.5 t -108.3 157.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.171 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 58' ' ' VAL . 35.9 mtpt -122.88 155.7 36.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mt -130.75 139.41 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 p -157.6 144.06 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 mt -103.98 92.68 4.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 19.8 mt -71.97 155.7 91.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.8 tppt? . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.758 0.313 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 2.0 mp0 -125.59 171.52 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.4 p -119.53 139.76 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.46 161.62 1.66 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 74' ' ' VAL . 3.2 m -86.94 129.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 83' ' ' PHE . 15.9 mmtm -79.31 163.88 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 78' ' ' THR . 38.0 mmt180 -76.85 165.23 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ARG . 3.4 pttp -34.09 114.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 76' ' ' ARG . 15.0 t -172.28 161.5 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -95.44 -18.4 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -131.9 100.46 15.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.69 121.52 8.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 34' ' ' GLU . 1.5 p -125.11 105.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -102.15 -30.31 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' PHE . 31.7 mt-10 37.86 51.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -112.79 145.25 40.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -98.33 143.09 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -134.69 147.65 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -119.12 159.58 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 88' ' ' THR . 40.4 m-85 -148.08 123.71 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 tt -144.83 132.27 10.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.84 128.11 15.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' LEU . 50.6 t80 -36.66 -62.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' PHE . 7.3 mp -35.21 -40.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -79.33 -45.56 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.47 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -43.05 -43.78 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -55.89 -37.65 69.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -75.26 -30.17 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -76.14 163.75 26.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.2 m -128.61 135.18 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.12 113.54 20.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.3 tm? -122.15 127.05 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -124.88 115.25 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.3 m -104.31 136.74 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 58' ' ' VAL . 69.3 t -108.73 110.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.51 150.55 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.822 0.344 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.43 HG21 HD22 ' A' ' 38' ' ' LEU . 5.9 mm -52.61 -41.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 171.06 -166.96 40.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.07 159.35 36.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.48 117.79 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.451 ' HB3' HD23 ' A' ' 102' ' ' LEU . 4.5 p -108.46 145.32 34.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.7 p -153.56 130.31 5.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.28 20.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 129' ' ' LEU . 7.1 mt -96.85 23.2 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 47.5 t -86.44 -54.15 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.65 -38.44 23.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 49.5 t -46.74 136.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -79.99 62.82 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 124' ' ' LEU . 27.3 mt -40.49 -44.36 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.9 t -43.72 -59.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -73.92 -57.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.43 172.49 19.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.605 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -136.07 60.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -83.85 103.82 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.5 p90 -152.2 179.4 8.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.648 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 12.2 m95 -122.53 129.49 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.469 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 25.6 mttt -125.74 171.75 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.32 133.79 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.3 mp -66.21 143.01 57.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.9 pt -118.04 155.51 51.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.186 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 112.1 3.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.822 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.78 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.75 -151.56 14.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.9 mtp -157.35 142.28 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.55 130.81 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.0 t-160 -91.39 132.64 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.43 158.26 35.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -137.73 138.41 39.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -120.59 113.61 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.98 120.94 19.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.0 t80 -92.68 136.66 33.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -107.14 120.27 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 mp -76.79 -34.27 57.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -43.9 -42.16 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.1 m170 -116.87 10.3 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 45.8 47.53 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -132.99 163.68 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -99.31 116.71 32.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 m -96.94 103.01 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.14 110.68 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -103.53 104.28 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.85 131.74 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.614 HG22 ' N ' ' A' ' 34' ' ' GLU . 38.3 mt -109.52 164.88 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.614 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.6 pt-20 -57.66 177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.09 179.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -164.94 173.57 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.17 40.35 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -96.3 128.19 37.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 146.38 59.98 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB2' HG13 ' A' ' 74' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.72 166.96 25.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.468 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 4.8 p90 -172.91 135.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 59' ' ' LYS . 62.8 t -99.4 152.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 58' ' ' VAL . 7.0 mtpm? -115.8 157.44 24.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -133.11 133.08 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.38 147.06 27.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.94 92.62 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 67.0 mt -64.01 153.04 86.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.333 -0.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.746 0.308 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.92 149.09 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.561 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 26.6 p -88.08 161.62 17.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.09 176.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 55' ' ' ASN . 87.8 t -114.45 110.97 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -94.18 169.35 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 2.3 mpt_? -76.1 163.26 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.7 pttm -34.43 120.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -168.89 138.26 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -81.87 -33.33 30.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -114.31 77.87 4.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.22 34.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 82' ' ' VAL . 3.1 p -130.2 111.46 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 1.2 m-85 -93.01 -43.19 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 46.78 39.83 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -102.34 178.6 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -128.74 145.31 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.95 149.88 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 9.3 p -124.08 152.18 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 88' ' ' THR . 28.1 m-85 -146.88 120.12 8.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 83.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 89' ' ' PHE . 2.3 tt -140.74 132.13 13.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.1 Cg_endo -69.77 131.69 21.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 86.7 t80 -36.19 -60.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.72 -41.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -74.19 -52.05 13.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.3 -15.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 52.2 mt-30 -79.99 -49.96 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.28 -24.98 60.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 64' ' ' PRO . 2.7 mmp_? -72.91 164.0 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.2 m -125.1 144.76 50.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.587 ' HB3' HG13 ' A' ' 122' ' ' VAL . 22.8 tp -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.628 HD13 ' N ' ' A' ' 103' ' ' LEU . 1.3 tm? -130.72 118.42 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.628 ' N ' HD13 ' A' ' 102' ' ' LEU . 4.9 mp -106.17 149.28 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -132.41 120.21 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.591 ' CG2' HD21 ' A' ' 139' ' ' LEU . 54.5 t -94.53 108.35 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 47.9 t -119.77 145.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 98.1 mt -56.8 -52.5 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.13 -169.18 38.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HD3' ' CB ' ' A' ' 142' ' ' SER . 2.2 ptmt -147.14 177.69 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.1 t -147.66 116.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.496 ' HB3' HD23 ' A' ' 102' ' ' LEU . 54.5 p -106.33 150.23 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.587 HG13 ' HB3' ' A' ' 101' ' ' LEU . 2.1 p -162.63 120.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.33 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 129' ' ' LEU . 85.0 mt -57.31 -20.36 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.8 p -60.27 -29.04 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.35 -10.55 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 128' ' ' ASP . 59.5 t -83.07 154.14 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG12 ' A' ' 127' ' ' VAL . 4.4 m-20 -93.85 72.58 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.683 HD21 HD22 ' A' ' 124' ' ' LEU . 18.7 mt -55.48 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.02 -57.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -68.46 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.79 135.84 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.09 127.45 8.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -154.08 106.42 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.472 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 45.6 p90 -152.7 179.55 8.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.551 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.0 m95 -117.94 125.55 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 18.1 mttt -123.16 159.31 28.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.05 128.01 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.591 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.3 mp -58.28 137.35 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.5 pt -105.42 151.9 39.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 27.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.523 HD12 ' HD3' ' A' ' 141' ' ' PRO . 13.5 mt -72.82 -24.01 60.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.6 -164.48 25.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -141.82 153.15 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -136.19 138.02 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 13.2 t-160 -97.99 134.87 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -157.46 159.31 37.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.9 p -139.3 129.73 25.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.564 ' HB ' HD22 ' A' ' 101' ' ' LEU . 10.2 t -114.41 121.83 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -143.9 131.43 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 20.0 t80 -98.75 144.59 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.3 t0 -108.69 128.38 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.42 -26.73 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.9 tt -60.01 -47.88 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 35.8 m-70 -108.67 5.33 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 10.0 p30 45.86 52.57 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -132.87 161.99 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.83 109.11 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.505 HG21 ' HE ' ' A' ' 86' ' ' ARG . 26.3 m -94.53 114.99 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -114.46 102.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -84.23 108.17 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 32' ' ' VAL . 33.1 m -72.27 117.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.584 HG22 ' N ' ' A' ' 34' ' ' GLU . 14.8 mt -98.77 168.13 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.604 ' CB ' HG22 ' A' ' 82' ' ' VAL . 11.2 pt-20 -68.18 179.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.35 -179.02 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -163.02 177.48 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.55 49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -105.85 131.48 21.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HG2' HD12 ' A' ' 117' ' ' ILE . 53.6 Cg_endo -69.72 123.82 10.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 154.16 67.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 17.9 p90 -144.2 147.35 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 105' ' ' VAL . 92.4 t -98.54 131.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -105.57 157.76 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.75 136.22 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.12 134.38 11.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.44 93.11 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.6 mm? -69.28 154.78 94.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.359 -0.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 8.6 tppt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.691 0.281 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 2.3 mp0 -125.96 172.81 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -103.69 171.13 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.15 162.15 54.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.08 125.38 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 9.6 mptt -93.23 162.97 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' LYS . 13.9 mmt85 -87.87 165.5 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.8 tttt -30.85 111.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 76' ' ' ARG . 9.2 t -175.01 133.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.97 -43.42 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.4 mtpt -103.37 94.75 6.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 54.0 Cg_endo -69.77 140.89 43.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.604 HG22 ' CB ' ' A' ' 34' ' ' GLU . 98.4 t -133.8 106.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.7 m-85 -98.93 -58.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 56.2 47.34 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -105.31 160.21 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 29' ' ' THR . 18.0 ttt180 -116.28 143.61 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -142.72 160.52 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -130.19 162.34 29.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 88' ' ' THR . 37.2 m-85 -149.7 112.08 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.59 94.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -150.38 138.61 12.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' A' ' 91' ' ' ILE . 53.8 Cg_endo -69.77 140.74 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -49.38 -46.57 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 mt -48.96 -38.46 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -78.95 -41.79 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.73 -40.3 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -63.93 -45.47 89.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -69.06 -14.45 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -98.58 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 122' ' ' VAL . 62.7 m -128.05 143.21 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 19' ' ' THR . 9.1 tp -89.78 102.58 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 119' ' ' LYS . 2.0 tt -116.24 121.78 43.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.33 124.09 51.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.8 m -107.94 116.54 32.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 58' ' ' VAL . 48.2 t -91.6 103.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.6 t -109.39 154.06 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.496 ' O ' HD22 ' A' ' 12' ' ' LEU . 7.5 mm -76.4 -43.24 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.16 178.06 48.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.707 ' HB2' HD21 ' A' ' 102' ' ' LEU . 19.7 pttm -135.06 145.68 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 41.8 t -132.75 102.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 54.7 p -102.67 147.88 26.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 100' ' ' THR . 2.4 p -148.38 121.97 4.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.15 4.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.72 -0.23 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.87 -18.71 65.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -118.66 -21.06 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.31 144.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 65.32 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.2 mt -45.03 -54.17 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.6 t -42.48 -58.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -68.05 -71.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.76 152.11 6.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -120.05 136.0 11.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.496 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 7.8 t-160 -161.2 105.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.487 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 40.5 p90 -153.13 179.39 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 6.4 m95 -122.58 132.64 54.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 18.4 mttt -129.93 165.77 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.43 129.35 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.44 143.27 56.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.4 pt -125.54 150.8 69.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 111.16 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.523 ' HD3' HD12 ' A' ' 12' ' ' LEU . 53.5 Cg_endo -69.75 120.47 7.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.323 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.43 -50.19 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.63 28.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.9 mtp -133.9 154.48 51.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 35' ' ' ALA . 21.8 tp -130.23 139.3 50.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.9 t-160 -99.07 132.34 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -159.3 146.99 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -130.66 125.38 33.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' THR . 15.2 t -107.75 124.12 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -142.87 117.7 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.57 129.14 36.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 137.93 36.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.56 -54.8 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -38.79 -38.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 98.6 m-70 -98.15 -29.76 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 71.99 41.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -135.94 175.86 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -104.45 111.2 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -92.99 99.96 12.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.36 108.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.46 106.59 18.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.73 108.34 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 34' ' ' GLU . 21.8 mt -88.15 166.01 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.597 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.9 pt-20 -68.08 173.33 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.701 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -143.57 -179.86 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -161.73 -179.92 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.7 31.2 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.574 HD22 HG21 ' A' ' 117' ' ' ILE . 75.5 mt -100.45 139.1 20.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.49 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 10.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 54.1 Cg_endo -69.75 -172.73 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -172.42 158.17 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.623 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 75.3 t -112.69 150.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -118.41 157.41 27.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.96 136.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -156.31 134.81 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.39 121.03 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 64' ' ' PRO . 3.9 mm? -102.36 156.01 35.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.543 ' O ' HD13 ' A' ' 63' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.377 -0.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.722 0.296 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -147.64 172.13 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 p -105.13 164.78 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.26 54.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.0 t -88.94 132.62 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -103.09 165.05 11.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -76.21 165.39 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -33.19 124.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -175.11 156.51 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -95.9 -26.09 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -114.39 106.64 52.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.79 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.2 119.03 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.623 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 15.5 m-85 -112.61 -64.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 55.82 41.48 30.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.39 153.51 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -110.42 133.28 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -127.02 152.5 47.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.65 147.8 50.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.636 ' O ' HG22 ' A' ' 91' ' ' ILE . 71.0 m-85 -139.38 117.59 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.98 84.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.5 tt -138.16 131.51 16.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.03 46.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 94' ' ' LEU . 57.9 t80 -42.48 -63.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 93' ' ' PHE . 58.6 mt -34.6 -59.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -61.58 -44.84 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.598 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -45.84 -50.18 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.18 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -78.42 155.05 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.6 m -118.43 124.39 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.642 ' HG ' HD11 ' A' ' 103' ' ' LEU . 20.7 tp -62.7 104.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -110.95 129.66 55.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.774 ' N ' HD13 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -133.88 107.24 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.7 m -95.21 123.89 38.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.529 HG21 HD21 ' A' ' 139' ' ' LEU . 94.0 t -95.38 106.61 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -110.94 132.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 116' ' ' VAL . 7.2 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.574 HG21 HD22 ' A' ' 38' ' ' LEU . 40.2 mm -67.27 -42.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.12 -161.56 34.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -162.19 169.8 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.834 ' O ' HD22 ' A' ' 102' ' ' LEU . 85.4 t -137.7 149.61 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.434 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 37.4 p -138.19 116.9 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.733 HG22 ' HE3' ' A' ' 137' ' ' LYS . 73.9 t -132.01 125.07 19.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 126.37 13.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.741 ' HB3' HD21 ' A' ' 129' ' ' LEU . 17.0 mt -93.95 29.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.9 t -102.16 -46.98 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.89 -50.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.579 HG21 ' CH2' ' A' ' 135' ' ' TRP . 7.8 p -60.37 155.3 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -89.5 112.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 124' ' ' LEU . 14.9 mt -85.52 -48.34 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.4 t -42.59 -46.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -59.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 152.82 160.93 9.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.21 127.23 4.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 8.1 t-160 -148.96 110.15 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.579 ' CH2' HG21 ' A' ' 127' ' ' VAL . 31.8 p90 -152.85 178.68 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.572 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 18.3 m95 -124.27 131.91 53.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.733 ' HE3' HG22 ' A' ' 122' ' ' VAL . 19.9 mttm -129.33 172.75 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.02 130.89 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 105' ' ' VAL . 5.7 mp -61.74 143.23 56.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.0 pt -114.92 151.57 45.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.655 0.741 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 111.2 2.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.875 0.369 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.58 -30.6 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.61 -159.84 14.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mtp -141.83 155.2 45.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -131.03 135.48 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 8.1 t-160 -97.88 134.43 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 4.1 p90 -159.1 152.3 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 p -129.56 129.11 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 19' ' ' THR . 6.4 t -112.33 114.58 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -139.24 121.18 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 22' ' ' ASP . 12.3 t80 -91.34 146.17 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.0 t70 -112.75 117.11 31.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD11 HG22 ' A' ' 130' ' ' VAL . 9.0 mp -71.88 -45.83 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -48.93 -52.09 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 80.8 m-70 -89.54 -10.48 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 55.26 50.33 15.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -139.36 170.7 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' HG ' HG23 ' A' ' 30' ' ' VAL . 57.6 tp -105.41 107.22 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -84.79 99.96 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' HG ' ' A' ' 28' ' ' LEU . 93.9 t -106.75 104.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.16 106.76 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG11 HG21 ' A' ' 72' ' ' THR . 85.9 t -70.62 102.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.613 HG22 ' N ' ' A' ' 34' ' ' GLU . 46.9 mt -76.89 165.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.613 ' N ' HG22 ' A' ' 33' ' ' ILE . 11.9 pt-20 -64.57 173.02 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 175.66 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -162.33 179.72 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 62.75 36.24 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -96.75 138.33 21.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.705 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 142.32 47.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.372 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 146.94 61.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CE1' HG13 ' A' ' 106' ' ' VAL . 44.9 p90 -148.36 142.42 25.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.481 HG23 ' CE2' ' A' ' 83' ' ' PHE . 52.0 t -92.86 129.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -99.94 153.31 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.49 154.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.53 156.02 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.2 mt -117.89 101.75 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.0 mt -72.21 156.92 90.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.305 -0.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' NZ ' ' CE1' ' A' ' 89' ' ' PHE . 9.7 mttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -148.9 144.46 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.471 HG21 HG11 ' A' ' 32' ' ' VAL . 25.7 p -75.66 155.66 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -38.95 153.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.89 137.24 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HB3' HG22 ' A' ' 78' ' ' THR . 19.1 mmtm -84.4 169.5 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' LYS . 9.9 mmt85 -136.18 118.49 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.0 mttm 33.25 54.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.696 HG22 ' HB3' ' A' ' 75' ' ' LYS . 2.6 t -136.76 133.32 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.63 -19.98 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 2.9 pttp -113.11 97.92 44.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.529 0.681 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.78 96.38 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 34' ' ' GLU . 93.3 t -103.44 81.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CE2' HG23 ' A' ' 58' ' ' VAL . 8.1 m-85 -72.75 -61.18 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 61.52 34.13 18.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -106.15 155.04 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -109.1 142.25 40.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.75 155.61 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.5 145.35 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' CE1' ' NZ ' ' A' ' 70' ' ' LYS . 81.2 m-85 -136.5 126.17 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.15 86.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 99' ' ' ARG . 1.6 tt -142.0 131.23 12.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.73 131.68 21.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' PRO . 71.8 t80 -35.2 -51.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 mp -38.61 -53.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.9 tp10 -66.36 -51.44 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.33 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -48.99 -53.38 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.2 -21.85 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.44 ' HG3' ' CD1' ' A' ' 91' ' ' ILE . 20.4 mmt85 -78.29 146.22 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 122' ' ' VAL . 93.3 m -119.34 147.39 44.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.493 HD23 ' CG1' ' A' ' 122' ' ' VAL . 5.9 tp -96.02 109.38 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 120' ' ' VAL . 58.5 tp -117.22 117.56 29.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.57 152.79 25.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -134.83 147.73 50.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.673 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.6 t -124.6 121.41 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 57' ' ' TYR . 5.4 p -137.05 137.47 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.79 0.329 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.84 -47.26 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 -170.16 38.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -153.34 165.61 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 102' ' ' LEU . 44.2 t -139.5 130.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.0 p -115.53 148.26 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.493 ' CG1' HD23 ' A' ' 101' ' ' LEU . 4.2 p -161.63 117.56 1.32 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.07 15.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.584 HD22 HD21 ' A' ' 129' ' ' LEU . 12.3 mt -91.71 26.48 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.02 -38.59 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -84.7 -51.87 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.599 HG21 ' CH2' ' A' ' 135' ' ' TRP . 14.8 p -59.74 155.37 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG22 ' A' ' 127' ' ' VAL . 81.8 m-20 -91.63 112.18 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.584 HD21 HD22 ' A' ' 124' ' ' LEU . 19.7 mt -82.23 -52.75 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.666 HG22 HD11 ' A' ' 23' ' ' LEU . 90.7 t -37.8 -54.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -68.08 -54.19 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 140.36 154.89 6.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -126.24 137.38 10.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.498 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.6 t-160 -161.17 105.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CH2' HG21 ' A' ' 127' ' ' VAL . 35.5 p90 -152.81 177.81 10.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 12.2 m95 -119.05 132.84 56.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.413 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 34.7 mttt -128.35 161.48 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.73 126.15 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.673 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.0 mp -54.27 152.88 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.1 pt -125.45 150.53 68.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 93.6 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 mt -110.87 14.71 22.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 -169.07 35.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.516 ' HA ' HD12 ' A' ' 139' ' ' LEU . 24.6 mtp -133.82 166.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 16' ' ' HIS . 4.9 tp -143.08 137.68 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.3 t-160 -100.15 132.74 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -158.08 169.26 24.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 133' ' ' GLY . 2.1 p -152.05 123.6 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 133' ' ' GLY . 9.0 t -107.7 125.1 50.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 155.3 44.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -119.25 134.43 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.74 115.16 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 26' ' ' ASN . 95.6 mt -70.71 -58.72 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LEU . 13.6 tp -37.4 -32.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 87.0 m-70 -104.95 -24.11 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' LEU . 10.3 m-80 67.91 40.41 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.637 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 2.1 p-80 -136.08 160.69 37.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -92.47 111.53 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.6 m -94.81 100.17 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 t -95.49 105.72 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' NH1' ' C ' ' A' ' 84' ' ' GLU . 8.4 tpp180 -84.47 126.05 32.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 HD11 ' A' ' 60' ' ' ILE . 21.3 t -101.04 113.11 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.609 HG22 ' N ' ' A' ' 34' ' ' GLU . 50.1 mt -98.08 164.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.609 ' N ' HG22 ' A' ' 33' ' ' ILE . 4.8 pt-20 -61.4 -178.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.91 -179.92 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -162.53 168.67 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.06 27.88 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 117' ' ' ILE . 25.0 mt -82.75 129.25 62.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.26 68.07 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.481 HD22 HG21 ' A' ' 74' ' ' VAL . 2.0 p-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.655 0.74 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.87 15.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 13.2 p90 -165.01 151.43 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 105' ' ' VAL . 53.1 t -99.1 153.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -125.87 156.96 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 32' ' ' VAL . 4.0 mt -134.55 158.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' N ' HG22 ' A' ' 60' ' ' ILE . 1.5 t -174.82 151.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 mt -115.4 97.4 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 82.6 mt -65.75 154.02 89.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 14.1 tppt? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.73 0.3 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -145.4 159.97 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.621 HG22 ' OH ' ' A' ' 87' ' ' TYR . 58.3 p -113.76 136.12 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.06 151.33 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.481 HG21 HD22 ' A' ' 55' ' ' ASN . 4.2 m -81.06 137.79 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 3.7 mptt -84.89 165.21 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 78' ' ' THR . 31.4 mmt180 -76.22 165.64 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 2.4 ptpp? -32.57 111.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 76' ' ' ARG . 14.9 t -170.99 162.59 7.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -94.69 -26.7 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 14.6 pttp -123.95 100.9 36.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 53.9 Cg_endo -69.76 118.7 5.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -100.82 105.43 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' O ' ' CD ' ' A' ' 85' ' ' GLU . 40.0 m-85 -91.12 -62.63 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.496 ' C ' ' NH1' ' A' ' 31' ' ' ARG . 22.5 mt-10 54.22 39.38 30.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 83' ' ' PHE . 8.1 mp0 -115.26 148.22 39.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.32 147.06 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.621 ' OH ' HG22 ' A' ' 72' ' ' THR . 98.9 m-85 -134.86 156.43 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.6 p -128.53 159.83 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 88' ' ' THR . 44.7 m-85 -148.49 124.49 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -71.68 80.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -141.59 134.1 13.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 146.71 61.13 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 96' ' ' ALA . 14.9 t80 -50.68 -63.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' PHE . 66.5 mt -34.52 -43.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -73.26 -43.95 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -47.68 -45.64 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.47 -44.65 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.21 -21.31 63.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -92.1 152.37 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.9 m -116.52 147.13 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' HG ' HD11 ' A' ' 103' ' ' LEU . 47.3 tp -90.65 116.08 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.84 109.52 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.411 HD11 ' HG ' ' A' ' 101' ' ' LEU . 2.6 mp -105.34 133.77 49.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.7 m -125.91 134.96 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 58' ' ' VAL . 32.2 t -108.1 107.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 2.8 t -111.82 147.19 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.784 0.325 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.478 HG21 HD22 ' A' ' 38' ' ' LEU . 26.0 mm -59.71 -42.92 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.18 -174.06 46.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.595 ' HE3' HD11 ' A' ' 140' ' ' ILE . 42.7 pttt -145.77 156.26 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 37.5 t -136.93 114.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 p -99.87 148.98 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 122' ' ' VAL . 13.4 p -161.56 120.78 1.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.594 ' HB3' HD11 ' A' ' 129' ' ' LEU . 16.0 mt -85.07 22.76 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.47 -9.88 21.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.19 -37.23 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.696 HG21 ' CH2' ' A' ' 135' ' ' TRP . 12.6 p -80.49 117.99 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.07 82.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 124' ' ' LEU . 16.0 mt -50.26 -45.52 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.6 t -37.69 -57.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -70.41 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.33 6.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -120.03 137.78 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.414 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 14.1 t-160 -163.02 105.64 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.696 ' CH2' HG21 ' A' ' 127' ' ' VAL . 38.0 p90 -152.92 179.43 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.3 m95 -117.35 133.16 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -131.06 163.18 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.29 121.46 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.6 mp -54.37 154.22 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.595 HD11 ' HE3' ' A' ' 119' ' ' LYS . 4.5 pt -128.18 153.93 78.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.49 2.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.43 -44.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -153.51 22.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.564 ' HA ' HD12 ' A' ' 139' ' ' LEU . 38.4 mtp -146.16 148.17 32.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 35' ' ' ALA . 7.0 tp -128.58 131.15 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -87.18 128.1 35.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -156.25 156.58 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 10.2 p -142.76 146.24 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -121.58 128.83 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -143.34 117.5 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 17.5 t80 -89.1 123.49 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.21 116.24 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.2 -42.76 62.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.35 -51.41 54.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 99.2 m-70 -93.1 -3.75 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 49.74 53.29 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -137.88 179.28 6.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 tp -111.89 109.86 19.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.46 102.99 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -107.39 105.41 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -99.07 120.92 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 72' ' ' THR . 92.1 t -82.25 107.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 34' ' ' GLU . 17.8 mt -83.69 167.6 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.604 ' N ' HG22 ' A' ' 33' ' ' ILE . 13.9 pt-20 -59.15 -178.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.53 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -157.8 177.27 11.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -166.5 173.04 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.68 37.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 117' ' ' ILE . 42.9 mt -99.68 136.67 20.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.89 66.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.4 m120 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.594 0.711 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -166.96 146.38 5.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 105' ' ' VAL . 58.6 t -101.61 145.0 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -112.86 158.6 19.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -131.41 141.87 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.5 p -157.97 135.21 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.8 mt -104.1 104.82 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 4.1 mm? -68.6 157.37 88.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.341 -0.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.683 0.278 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -147.03 149.41 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.561 HG21 HG21 ' A' ' 32' ' ' VAL . 3.8 p -96.86 159.49 14.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.68 164.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 87.3 t -90.42 149.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.05 169.4 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.9 mmt180 -124.93 105.12 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' ARG . 5.3 ptpt 31.28 55.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' A' ' 75' ' ' LYS . 1.9 t -129.83 112.43 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.17 -31.83 67.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -105.68 92.77 6.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.9 5.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 82' ' ' VAL . 2.7 p -123.29 88.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.579 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.1 m-85 -77.3 -39.24 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 42.48 35.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 8.5 tp10 -105.02 158.5 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 35.3 ptt180 -119.05 152.83 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -139.48 157.91 45.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 8.9 p -125.09 151.36 45.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' O ' HG22 ' A' ' 91' ' ' ILE . 34.7 m-85 -146.75 113.96 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.94 85.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 89' ' ' PHE . 3.6 tt -137.92 129.9 16.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.74 133.52 25.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 37.4 t80 -34.61 -59.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -35.91 -47.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -70.43 -53.33 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.409 ' NE2' ' CD2' ' A' ' 93' ' ' PHE . 48.6 mt-30 -49.89 -42.61 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -70.62 -36.91 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -63.37 157.98 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.1 m -127.61 114.26 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 124' ' ' LEU . 45.2 tp -58.32 97.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -111.48 110.19 20.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 102' ' ' LEU . 3.7 mp -103.92 144.01 32.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 m -130.86 109.12 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 58' ' ' VAL . 59.3 t -88.28 109.27 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -113.65 141.07 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.318 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.738 HG21 HD22 ' A' ' 38' ' ' LEU . 32.1 mm -82.01 -34.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.81 -178.49 35.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -147.78 156.53 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.64 141.33 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -127.61 120.16 27.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.719 HG22 ' HE3' ' A' ' 137' ' ' LYS . 48.4 t -137.33 123.46 13.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.76 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.598 ' HB3' HD21 ' A' ' 129' ' ' LEU . 6.9 mt -95.08 29.95 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.14 -51.17 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -82.33 -42.1 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.4 t -47.29 148.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -90.43 82.92 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.0 mt -60.28 -47.64 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' LEU . 92.6 t -34.03 -51.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -87.97 -72.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.28 177.02 44.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.54 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -144.87 66.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 3.1 m80 -86.81 110.64 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ2' HG11 ' A' ' 122' ' ' VAL . 10.5 p90 -153.13 179.72 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.6 m95 -128.22 120.8 27.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.719 ' HE3' HG22 ' A' ' 122' ' ' VAL . 20.8 mttm -120.32 159.18 25.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -93.66 150.18 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.4 mp -86.56 144.07 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.7 pt -115.08 152.4 46.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.775 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.22 -37.09 11.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.18 -162.0 28.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 mtp -149.58 136.73 19.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 35' ' ' ALA . 10.6 tp -119.91 143.17 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.3 t-160 -101.45 132.25 47.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 120' ' ' VAL . 15.4 p90 -158.94 162.96 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.0 p -147.06 133.87 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -114.55 119.83 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -138.02 117.8 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 11.3 t80 -88.08 128.65 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.46 128.48 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.57 -23.13 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.7 -50.86 55.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 41.6 m80 -89.73 -18.92 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 69.09 47.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -142.16 172.71 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.433 ' CG2' ' HG3' ' A' ' 86' ' ' ARG . 2.1 m -113.28 111.71 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.8 102.87 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -88.97 107.65 19.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 HG21 ' A' ' 72' ' ' THR . 8.2 t -72.38 117.04 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 34' ' ' GLU . 51.3 mt -96.78 164.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.623 ' N ' HG22 ' A' ' 33' ' ' ILE . 13.0 pt-20 -61.62 174.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -142.29 -179.6 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -163.99 170.48 16.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.09 53.34 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 mt -109.25 140.19 21.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.48 19.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.712 ' HB3' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 163.25 39.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 1.7 p90 -166.36 133.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 59' ' ' LYS . 57.8 t -94.66 158.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.515 ' N ' HG12 ' A' ' 58' ' ' VAL . 20.0 mtpp -126.4 160.89 29.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -134.82 134.28 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 t -152.58 144.62 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -104.34 95.2 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.5 mt -61.52 154.35 65.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.342 -0.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.513 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -149.96 135.71 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.653 HG21 HG11 ' A' ' 32' ' ' VAL . 53.3 p -61.08 -69.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.77 136.01 1.92 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 55' ' ' ASN . 10.9 p -72.45 117.69 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.2 169.46 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 23.6 mmt85 -75.82 165.59 24.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.8 mtmm -31.85 116.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 76' ' ' ARG . 8.8 t -166.3 147.92 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -89.23 -34.47 16.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -110.69 92.54 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 107.22 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.39 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.98 127.71 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.403 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -117.25 -42.0 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 48.5 45.22 21.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -104.1 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 29' ' ' THR . 25.7 ttp180 -127.29 129.81 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -119.83 151.01 39.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -132.09 129.2 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.81 86.95 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 tt -146.29 132.92 9.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.192 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.78 130.46 19.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 17.2 t80 -34.74 -59.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -35.06 -55.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.2 -45.19 92.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.18 -40.88 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -55.93 -45.29 78.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -80.1 -8.9 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -91.49 146.89 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 122' ' ' VAL . 23.7 m -113.48 139.63 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' A' ' 103' ' ' LEU . 17.8 tp -88.66 103.32 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 102' ' ' LEU . 1.1 tm? -104.32 123.92 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -124.25 109.04 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.4 m -91.27 144.95 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.538 HG21 HD21 ' A' ' 139' ' ' LEU . 48.3 t -119.96 103.34 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 107' ' ' ASP . 6.1 t -104.97 159.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.2 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 116' ' ' VAL . 14.4 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mt -78.75 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -171.23 -165.54 28.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -158.11 164.63 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 103' ' ' LEU . 54.0 t -135.78 111.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.421 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 4.7 p -108.66 141.09 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.436 ' C ' HG23 ' A' ' 100' ' ' THR . 7.3 p -154.21 124.39 3.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 127.13 14.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.6 mt -84.86 21.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.55 -54.53 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.91 -46.54 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.1 t -46.38 151.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -95.69 80.07 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 130' ' ' VAL . 23.6 mt -51.75 -55.21 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 129' ' ' LEU . 14.6 t -35.33 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -86.03 -66.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.96 172.63 27.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.595 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -135.87 60.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.442 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -83.68 102.76 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.3 p90 -152.41 178.66 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.3 m95 -123.27 129.5 51.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.467 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 33.6 mttt -125.26 165.22 18.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -105.12 132.43 51.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 105' ' ' VAL . 4.7 mp -59.54 137.12 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.0 pt -108.73 152.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.19 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 117' ' ' ILE . 21.1 mt -52.94 -56.01 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.96 -165.42 36.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mtp -140.15 157.62 45.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 tp -142.62 129.38 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 5.0 t-160 -89.19 130.46 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -155.01 164.96 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 p -145.3 129.05 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' THR . 5.2 t -111.5 115.32 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -139.74 133.23 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -99.66 135.47 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.38 113.35 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.89 -41.44 78.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.32 -40.49 64.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 36.0 m80 -100.52 -2.37 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p30 46.79 44.44 14.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.4 p-80 -138.03 170.18 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -99.2 119.97 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -97.15 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.01 102.66 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -99.96 123.62 44.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.72 109.17 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.624 HG22 ' N ' ' A' ' 34' ' ' GLU . 29.3 mt -86.6 166.91 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.624 ' N ' HG22 ' A' ' 33' ' ' ILE . 6.9 pt-20 -59.24 161.87 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.46 -179.83 5.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -166.1 175.9 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 63.85 35.86 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 81' ' ' PRO . 90.3 mt -99.65 131.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.0 22.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.409 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 12.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.81 48.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 40.2 p90 -144.8 146.33 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 105' ' ' VAL . 70.8 t -99.59 140.6 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -109.12 150.82 27.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.81 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.8 p -165.54 168.59 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 143.76 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 58.3 mt -120.29 155.33 56.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.383 -0.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 2.0 tpmt? . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -151.21 156.42 40.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.2 p -103.81 130.15 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.22 154.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 74' ' ' VAL . 2.9 m -75.08 128.21 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 34.8 mmtt -81.35 167.07 19.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' LYS . 17.6 mmm-85 -77.4 165.58 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -31.6 120.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -174.16 153.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.88 -29.04 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -134.67 108.36 10.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.669 ' HD2' HD12 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 135.81 31.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 34' ' ' GLU . 2.3 p -134.7 93.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -90.36 -45.5 8.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 49.8 42.4 23.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.88 160.53 14.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 87' ' ' TYR . 20.2 ttm180 -110.06 151.84 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.437 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 76.4 m-85 -142.32 162.02 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 p -139.22 145.47 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -134.62 127.67 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.62 81.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.9 tt -140.03 132.1 14.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.84 130.87 19.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 73.7 t80 -37.2 -57.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -36.33 -55.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.13 -50.26 55.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.517 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -39.32 -48.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.535 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 39.1 mt-30 -55.17 -42.66 73.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.63 -5.68 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -101.37 155.7 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.619 HG23 ' C ' ' A' ' 122' ' ' VAL . 96.1 m -119.43 133.47 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 103' ' ' LEU . 11.0 tp -81.08 98.53 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.9 tp -103.17 128.0 50.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 102' ' ' LEU . 2.9 mp -121.47 150.93 40.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 m -141.29 131.38 24.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 58' ' ' VAL . 57.8 t -107.52 102.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.446 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.0 t -102.45 158.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.815 0.34 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.712 ' O ' HD13 ' A' ' 12' ' ' LEU . 52.0 mt -44.78 -41.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.46 -177.89 48.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -151.44 164.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.2 t -145.22 109.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -106.5 133.91 50.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.619 ' C ' HG23 ' A' ' 100' ' ' THR . 7.7 p -136.68 123.26 13.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 37.4 mt -95.29 19.22 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 24.4 p -103.2 -5.57 23.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -116.83 -22.12 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.0 p -103.47 140.43 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.6 115.23 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 132' ' ' GLY . 11.6 mt -73.6 -55.88 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.5 m -41.46 -37.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -73.75 -33.35 64.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 106.06 134.07 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.44 138.95 14.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -163.85 105.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.475 ' NE1' ' HE2' ' A' ' 137' ' ' LYS . 41.4 p90 -153.22 173.3 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.582 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 10.6 m95 -110.4 138.93 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.475 ' HE2' ' NE1' ' A' ' 135' ' ' TRP . 16.2 mttm -135.2 162.8 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.12 124.7 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.546 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.2 mp -56.87 133.98 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.1 pt -106.42 151.21 40.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 109.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.821 0.344 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.87 -57.08 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.83 -158.34 28.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtp -142.89 148.07 36.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 35' ' ' ALA . 13.6 tp -126.72 136.06 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.537 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -96.26 132.4 41.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -156.91 154.95 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 p -135.1 126.54 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.575 ' HB ' HD22 ' A' ' 101' ' ' LEU . 6.1 t -108.95 119.09 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -137.77 129.44 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 19.4 t80 -102.15 133.25 47.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 6.8 t0 -91.03 132.72 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 HG12 ' A' ' 130' ' ' VAL . 3.4 mm? -88.84 -28.37 20.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -46.7 81.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -95.65 -13.0 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 60.7 48.77 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.9 p-80 -136.24 177.17 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -105.78 116.87 32.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 m -100.26 98.45 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.56 106.45 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -97.33 106.35 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.562 HG11 HG21 ' A' ' 72' ' ' THR . 65.4 t -73.08 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 34' ' ' GLU . 48.0 mt -116.26 165.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.633 ' N ' HG22 ' A' ' 33' ' ' ILE . 9.3 pt-20 -58.46 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.26 -179.41 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 4.1 ptp180 -161.88 167.1 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.22 36.87 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.668 HD12 ' CD ' ' A' ' 81' ' ' PRO . 90.7 mt -100.79 132.43 22.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 141.29 44.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 74' ' ' VAL . 28.7 p30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 46.9 p90 -171.88 133.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 105' ' ' VAL . 42.3 t -94.19 134.77 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' C ' HG13 ' A' ' 60' ' ' ILE . 20.3 mtpp -103.88 163.95 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 59' ' ' LYS . 7.4 mt -136.97 137.4 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.89 136.24 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -88.32 96.28 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.8 mm? -71.9 156.44 90.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.328 -0.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.684 0.278 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.96 161.52 41.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.562 HG21 HG11 ' A' ' 32' ' ' VAL . 44.3 p -96.58 -0.74 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.57 173.09 44.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 55' ' ' ASN . 11.3 p -104.42 130.0 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -95.45 164.08 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.6 mpt_? -76.63 165.85 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ARG . 16.8 ttpt -30.26 116.48 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -171.62 145.48 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 79' ' ' GLN . 12.6 mm100 -87.22 -16.13 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -125.76 106.66 26.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.668 ' CD ' HD12 ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.79 107.31 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 34' ' ' GLU . 7.7 p -120.04 118.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CE2' ' OG1' ' A' ' 72' ' ' THR . 0.1 OUTLIER -115.7 -44.93 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.51 51.88 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -107.39 172.79 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -130.73 128.44 40.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.61 155.79 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 p -125.86 149.28 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.6 m-85 -141.21 130.33 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -79.21 90.54 4.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.53 132.29 8.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 131.9 22.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.47 ' CD1' ' NE2' ' A' ' 97' ' ' GLN . 59.6 t80 -35.96 -55.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PHE . 25.1 mt -36.62 -54.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.461 ' CG ' ' NH1' ' A' ' 99' ' ' ARG . 27.0 tt0 -64.14 -44.86 90.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.17 -46.96 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' NE2' ' CD1' ' A' ' 93' ' ' PHE . 43.0 mt-30 -59.7 -33.52 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 95' ' ' GLU . 37.0 mtp180 -78.44 -32.83 48.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.461 ' NH1' ' CG ' ' A' ' 95' ' ' GLU . 46.6 mmt-85 -80.69 169.39 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.2 m -128.83 151.53 49.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.575 HD22 ' HB ' ' A' ' 19' ' ' THR . 10.7 tp -99.44 101.79 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 121' ' ' SER . 13.9 tp -111.2 139.04 46.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mp -131.92 102.67 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.462 ' CG2' HG23 ' A' ' 116' ' ' VAL . 92.9 m -89.5 126.61 35.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 58' ' ' VAL . 54.6 t -94.87 102.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.478 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 6.2 t -114.82 141.81 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 61.1 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 104' ' ' THR . 2.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.821 0.343 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.0 mt -78.49 -39.94 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.66 -178.82 45.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -145.23 140.3 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 102' ' ' LEU . 40.8 t -121.45 117.72 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.455 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 29.1 p -107.52 152.26 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.558 HG21 ' HZ2' ' A' ' 135' ' ' TRP . 1.3 p -158.84 121.46 1.98 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.11 12.96 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.74 2.293 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.419 HD22 HD21 ' A' ' 129' ' ' LEU . 25.7 mt -84.77 21.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.3 m -85.0 -51.72 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -74.84 -51.2 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.414 HG21 ' CH2' ' A' ' 135' ' ' TRP . 75.0 t -53.81 145.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.75 81.38 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.419 HD21 HD22 ' A' ' 124' ' ' LEU . 13.9 mt -45.38 -51.4 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.513 HG12 HD21 ' A' ' 23' ' ' LEU . 31.1 m -51.01 -35.72 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -88.08 -10.0 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.54 160.52 34.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -137.87 140.26 11.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.438 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.1 t-160 -164.92 108.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.558 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 39.1 p90 -153.11 178.2 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.537 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 14.3 m95 -120.26 129.17 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.426 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 12.3 mttm -125.05 173.2 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.93 137.33 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.84 153.88 43.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.3 pt -132.42 153.34 81.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 111.137 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.808 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.852 0.358 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.07 -29.74 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.13 -160.75 22.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.414 ' HA ' HD12 ' A' ' 139' ' ' LEU . 49.8 mtp -141.71 156.89 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 tp -135.89 133.23 37.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.742 ' ND1' HG21 ' A' ' 33' ' ' ILE . 9.6 t-160 -89.26 125.79 35.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.64 ' CZ ' HG11 ' A' ' 120' ' ' VAL . 27.2 p90 -157.67 154.02 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.588 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 3.2 p -141.05 141.91 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 19' ' ' THR . 8.9 t -117.21 110.37 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -127.8 154.01 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -122.31 126.84 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.66 109.15 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 23' ' ' LEU . 2.8 mm? -69.36 -33.27 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.06 -45.19 89.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.39 -11.75 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -139.49 167.74 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -94.14 126.05 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -112.65 105.58 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -106.03 103.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -90.24 109.26 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -73.08 111.62 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.742 HG21 ' ND1' ' A' ' 16' ' ' HIS . 41.3 mt -91.13 165.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.612 ' N ' HG22 ' A' ' 33' ' ' ILE . 7.2 pt-20 -60.38 -174.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.56 -179.25 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NE ' ' CH2' ' A' ' 136' ' ' TRP . 21.5 ptt180 -163.83 175.39 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.42 35.7 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.97 123.17 61.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.78 67.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.445 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 84.0 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.48 40.48 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.361 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -148.6 142.8 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.56 141.88 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -116.04 155.66 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -129.14 135.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.32 139.59 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.611 HD13 HH21 ' A' ' 99' ' ' ARG . 69.9 mt -99.41 144.0 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 64.5 mt -121.75 155.06 60.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 -0.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' N ' ' NE2' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -165.1 156.4 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -90.95 145.53 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.65 157.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 39.5 t -72.66 124.83 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -89.96 163.24 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 78' ' ' THR . 26.2 mmt180 -95.79 165.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 76' ' ' ARG . 24.1 ttpt -33.85 107.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 76' ' ' ARG . 12.1 t -167.94 150.83 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -89.17 -43.11 11.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -104.57 92.65 5.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.77 127.5 14.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.19 106.59 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.9 m-85 -100.71 -51.55 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 49.56 48.34 21.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -108.52 148.8 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.01 138.7 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -127.6 161.05 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.576 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.2 p -133.61 148.13 51.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.2 m-85 -142.1 115.38 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -66.57 93.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -146.29 133.04 9.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.9 Cg_endo -69.77 124.89 11.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' LEU . 17.5 t80 -34.49 -61.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' PHE . 77.8 mt -34.28 -45.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -76.08 -50.89 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.569 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -41.36 -30.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -67.44 -44.43 78.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -81.59 12.9 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.611 HH21 HD13 ' A' ' 62' ' ' LEU . 7.7 mmm180 -103.71 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.8 m -139.27 137.94 36.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HB3' HG13 ' A' ' 122' ' ' VAL . 13.0 tp -91.02 115.88 28.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.498 HD23 ' CB ' ' A' ' 121' ' ' SER . 1.4 tm? -122.87 120.78 34.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.459 HD11 ' CG ' ' A' ' 101' ' ' LEU . 2.4 mp -120.24 125.17 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -108.54 147.93 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.1 t -124.02 111.8 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.55 159.28 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.87 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.8 mt -79.75 -30.95 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.01 173.19 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -144.26 152.24 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.64 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 79.4 t -128.7 119.22 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.498 ' CB ' HD23 ' A' ' 102' ' ' LEU . 3.9 p -113.93 133.3 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -144.21 125.76 8.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 111.143 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 138.58 38.11 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 mt -102.32 18.65 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.6 t -74.96 -26.7 59.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.47 -36.81 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.449 HG11 ' CG2' ' A' ' 19' ' ' THR . 23.3 t -37.89 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.75 99.2 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 79.2 mt -84.56 -42.67 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.427 HG12 HD11 ' A' ' 23' ' ' LEU . 27.6 m -69.98 -24.89 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -105.99 -11.73 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.59 164.7 33.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.453 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -139.28 76.69 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 4.0 m80 -94.11 113.24 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.313 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.465 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 12.3 p90 -153.56 179.21 9.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.618 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.2 m95 -130.6 117.69 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -112.72 164.22 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.35 128.39 48.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.2 mp -59.88 137.21 58.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.9 pt -110.49 150.1 41.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 117' ' ' ILE . 42.3 mt -94.61 -33.36 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.83 -148.35 17.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.471 ' HE3' ' HB2' ' A' ' 138' ' ' ALA . 48.6 mtp -153.15 136.16 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.3 136.63 49.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.666 ' ND1' HG21 ' A' ' 33' ' ' ILE . 7.5 t-160 -97.44 132.72 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD2' HD21 ' A' ' 101' ' ' LEU . 33.5 p90 -158.17 158.09 33.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -141.39 129.72 22.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -110.99 117.27 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -138.79 124.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.0 t80 -98.6 128.69 45.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.5 m-20 -95.65 126.28 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.01 -31.51 30.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -50.68 -43.11 57.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -116.44 15.18 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 40.3 49.54 2.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.7 p-80 -131.61 163.29 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.29 115.28 29.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -94.34 96.9 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -101.78 103.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -92.03 102.14 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 60' ' ' ILE . 48.6 t -66.82 103.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.666 HG21 ' ND1' ' A' ' 16' ' ' HIS . 28.2 mt -78.04 166.74 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.779 ' HB2' HG22 ' A' ' 82' ' ' VAL . 12.1 pt-20 -69.52 -175.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.59 177.04 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -166.48 163.55 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 70.71 47.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.916 HD22 HG21 ' A' ' 117' ' ' ILE . 42.0 mt -98.56 149.5 35.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.957 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 117' ' ' ILE . 53.6 Cg_endo -69.79 129.89 18.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 9.1 p-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.609 0.718 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.32 21.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 27.5 p90 -166.99 132.96 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -99.86 142.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -113.8 164.09 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 32' ' ' VAL . 5.0 mt -134.6 113.06 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.7 m -122.96 139.33 54.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 mt -107.78 91.73 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 79.8 mt -57.88 152.82 36.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.362 -0.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.2 tppt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.446 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 8.9 tt0 -137.42 145.88 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.8 p -84.66 -58.82 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.87 -175.24 45.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 84.2 t -108.2 121.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 16.4 mmtp -80.63 168.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 21.2 mmt85 -118.97 109.68 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.9 mttp 35.39 55.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -115.23 137.14 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD3' HG23 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -129.58 107.94 17.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.55 0.69 . . . . 0.0 110.908 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.593 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.8 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 34' ' ' GLU . 87.2 t -101.35 72.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 74.7 m-85 -69.44 -50.89 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 51.4 41.69 28.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -108.62 147.95 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.25 150.66 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.87 150.43 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.0 p -124.16 157.37 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.634 ' O ' HG22 ' A' ' 91' ' ' ILE . 58.7 m-85 -148.54 112.78 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.59 82.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.6 tt -136.39 132.2 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' LEU . 54.3 t80 -39.02 -60.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -34.8 -47.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.47 -45.17 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.14 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -56.59 -41.09 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -70.99 -43.82 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.8 169.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 122' ' ' VAL . 89.8 m -138.46 139.27 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 ' CD2' ' A' ' 17' ' ' PHE . 17.8 tp -81.74 113.07 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 111.99 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mp -108.17 128.08 54.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 106' ' ' VAL . 54.2 m -117.64 130.47 56.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.12 102.41 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 16.9 t -110.95 135.44 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.916 HG21 HD22 ' A' ' 38' ' ' LEU . 28.1 mm -40.08 -55.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.77 -173.83 42.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.63 159.94 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 72.3 t -140.72 133.6 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 p -118.3 150.58 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 100' ' ' THR . 10.9 p -165.08 121.71 1.06 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.46 ' O ' HG23 ' A' ' 127' ' ' VAL . 54.0 Cg_endo -69.74 116.77 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.382 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.595 HD22 HD21 ' A' ' 129' ' ' LEU . 12.6 mt -67.04 -26.93 67.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 126' ' ' GLU . 12.8 p -47.66 -44.73 27.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 127' ' ' VAL . 19.1 pt-20 -85.87 -45.56 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 19' ' ' THR . 79.3 t -45.6 156.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 127' ' ' VAL . 9.5 m-20 -97.7 88.73 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 124' ' ' LEU . 22.0 mt -69.48 -51.03 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.01 -54.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.68 -45.88 60.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 126.95 150.97 7.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.45 125.79 5.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -151.31 107.56 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 137' ' ' LYS . 45.0 p90 -153.09 179.2 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.552 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.9 m95 -121.71 114.66 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 22.4 mttt -109.02 168.86 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . 0.471 ' HB2' ' HE3' ' A' ' 14' ' ' MET . . . -111.28 119.36 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 139' ' ' LEU . 5.4 mp -48.74 164.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.1 pt -137.1 152.23 73.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.844 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD22 ' O ' ' A' ' 117' ' ' ILE . 59.0 mt -68.03 -42.38 80.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.36 -158.23 23.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.429 ' HA ' HD12 ' A' ' 139' ' ' LEU . 63.4 mtp -140.13 146.62 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 35' ' ' ALA . 15.4 tp -123.86 139.86 53.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.4 t-160 -98.03 133.21 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.87 154.74 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -134.77 120.39 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' THR . 9.8 t -100.64 113.14 25.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -135.96 131.73 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 10.9 t80 -103.41 138.65 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.7 m-20 -107.17 132.5 52.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -86.52 -37.94 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 24' ' ' LEU . 2.4 tm? -43.09 -42.85 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -113.31 -0.34 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.3 43.89 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -126.74 168.46 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' HG23 ' A' ' 30' ' ' VAL . 35.5 tp -97.78 113.92 25.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 m -92.2 98.26 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG23 ' HG ' ' A' ' 28' ' ' LEU . 96.4 t -108.76 105.48 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -95.74 116.16 28.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.35 112.24 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 34' ' ' GLU . 33.3 mt -90.73 164.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.632 ' HB3' HG23 ' A' ' 82' ' ' VAL . 16.9 pt-20 -62.13 -177.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -151.73 -179.15 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -164.06 160.92 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 73.14 42.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 117' ' ' ILE . 24.8 mt -100.72 135.9 19.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.625 0.726 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.41 63.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 48.6 p90 -154.33 152.89 30.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.8 144.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' HG13 ' A' ' 60' ' ' ILE . 5.3 mtmp? -111.05 162.22 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.441 HG13 ' C ' ' A' ' 59' ' ' LYS . 5.1 mt -138.18 113.07 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.1 m -125.99 136.87 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.5 mt -105.05 91.64 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 33.2 mt -62.87 155.01 73.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.552 0.692 . . . . 0.0 110.947 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.404 -0.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.598 ' HE3' ' CD2' ' A' ' 87' ' ' TYR . 10.9 tptp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.708 0.29 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.474 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.0 pt20 -143.41 142.11 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.582 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 67.2 p -81.31 -178.07 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.36 -156.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.85 143.0 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -115.3 157.1 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LYS . 1.6 mpt_? -76.21 163.53 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.3 pmtp? -29.35 130.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -176.7 163.44 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -99.33 -42.16 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -110.5 106.49 57.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.476 ' CD ' HD12 ' A' ' 38' ' ' LEU . 53.5 Cg_endo -69.82 122.76 9.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 34' ' ' GLU . 2.0 p -137.85 107.07 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -106.83 -46.18 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 58.22 49.63 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -107.66 153.18 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -103.79 134.98 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.598 ' CD2' ' HE3' ' A' ' 70' ' ' LYS . 68.3 m-85 -126.88 155.73 42.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 p -131.8 153.44 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 88' ' ' THR . 26.7 m-85 -144.0 128.66 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.11 83.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.5 tt -137.16 132.2 17.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.59 28.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 41.8 t80 -38.71 -64.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' CD1' ' H ' ' A' ' 94' ' ' LEU . 9.4 mp -36.03 -44.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.6 -49.07 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -43.21 -44.95 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -60.25 -47.75 84.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -65.98 -31.22 72.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -78.53 157.71 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 122' ' ' VAL . 27.2 m -121.13 143.64 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.5 ' CD2' HD11 ' A' ' 103' ' ' LEU . 21.8 tp -86.89 108.98 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -115.37 106.35 13.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 101' ' ' LEU . 3.2 mp -101.8 117.11 34.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.4 m -107.8 123.75 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.72 111.05 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 57.4 t -113.7 150.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.661 HG21 HD22 ' A' ' 38' ' ' LEU . 5.5 mm -64.42 -39.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 166.53 170.23 31.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 102' ' ' LEU . 35.9 pttt -136.13 146.87 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.0 t -128.98 120.24 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.484 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 60.4 p -110.19 152.36 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 100' ' ' THR . 3.1 p -163.81 127.78 1.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 125.46 12.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.485 ' HB3' HD21 ' A' ' 129' ' ' LEU . 6.3 mt -87.35 26.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.14 -48.61 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -85.7 -43.34 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.734 HG11 ' HH2' ' A' ' 135' ' ' TRP . 73.8 t -53.97 134.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.59 105.01 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 124' ' ' LEU . 10.2 mt -74.47 -72.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -38.33 -42.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.814 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.518 ' HD2' HG23 ' A' ' 130' ' ' VAL . 5.4 mptt -71.75 -40.1 69.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 115.79 136.27 5.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.72 136.23 12.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.51 ' NE2' HD13 ' A' ' 33' ' ' ILE . 11.0 t-160 -155.69 109.33 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.734 ' HH2' HG11 ' A' ' 127' ' ' VAL . 40.8 p90 -151.8 178.1 9.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.571 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 21.2 m95 -120.92 123.95 43.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -119.04 167.95 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.95 113.49 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' ' 139' ' ' LEU . 5.8 mp -45.09 152.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.7 pt -124.59 151.83 67.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.644 0.735 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 111.69 2.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.95 -39.43 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.47 -157.71 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.483 ' HE3' ' C ' ' A' ' 137' ' ' LYS . 30.8 mtp -147.0 150.55 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -128.44 136.87 51.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.598 ' ND1' HG21 ' A' ' 33' ' ' ILE . 4.5 t-160 -96.42 131.52 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -157.43 159.12 37.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.2 p -138.77 121.7 16.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 19' ' ' THR . 9.0 t -104.19 115.22 30.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -139.5 126.43 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -92.98 126.79 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 8.4 m-20 -82.7 121.3 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.626 HD11 HG12 ' A' ' 130' ' ' VAL . 3.1 mm? -82.34 -27.57 32.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -70.38 -52.0 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.4 m80 -86.26 -2.79 58.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 50.81 50.19 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.7 p-80 -145.83 170.46 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -96.74 114.2 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -95.08 99.42 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -104.23 104.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -97.88 122.3 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.57 126.93 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 34' ' ' GLU . 25.1 mt -105.39 165.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.633 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.4 pt-20 -64.57 161.9 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.7 -179.32 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -164.91 167.06 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 71.56 33.12 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.27 141.67 23.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.62 19.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.439 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.2 m-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.702 0.763 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.39 16.65 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -172.21 134.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 105' ' ' VAL . 93.8 t -94.14 137.89 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -102.97 159.35 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.31 144.16 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.0 t -169.67 163.36 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 mt -123.19 96.69 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 46.1 mt -58.81 155.68 29.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.358 -0.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.734 0.302 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -163.87 132.35 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.4 p -66.73 150.69 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.11 160.28 27.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 88.6 t -74.85 126.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -89.0 169.15 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' LYS . 19.4 mmm180 -85.76 161.8 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ARG . 13.1 mptt -37.08 114.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -175.24 159.62 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -91.3 -45.0 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 20.1 mttp -102.7 105.38 44.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.79 136.5 33.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 34' ' ' GLU . 93.8 t -134.43 95.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -96.36 -59.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 60.86 39.89 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 6.4 tp10 -103.19 153.34 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 43.2 ttp180 -104.24 148.33 26.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -137.31 154.47 50.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 3.3 p -128.7 163.95 24.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 88' ' ' THR . 65.5 m-85 -157.74 126.77 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -72.99 82.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -137.56 132.34 17.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.51 28.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 77.4 t80 -39.22 -45.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.4 -52.17 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 99' ' ' ARG . 16.5 tt0 -64.09 -54.78 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.38 -45.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.595 ' OE1' ' CD2' ' A' ' 93' ' ' PHE . 31.0 mt-30 -53.28 -57.34 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.43 -26.62 66.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.42 ' CG ' ' HG2' ' A' ' 95' ' ' GLU . 21.5 mmt85 -73.15 139.98 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -106.75 124.47 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.663 ' HG ' HD11 ' A' ' 103' ' ' LEU . 67.2 tp -65.96 115.86 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 120' ' ' VAL . 0.6 OUTLIER -117.32 122.11 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.663 HD11 ' HG ' ' A' ' 101' ' ' LEU . 1.1 mp -127.98 101.2 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -99.62 129.9 45.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 58' ' ' VAL . 76.9 t -98.66 103.51 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.07 133.54 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 mt -44.38 -60.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.0 -179.43 38.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -152.69 153.73 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.47 ' O ' HD22 ' A' ' 102' ' ' LEU . 63.9 t -123.94 132.84 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.456 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 73.7 p -129.19 116.94 19.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.56 HG22 ' HE3' ' A' ' 137' ' ' LYS . 37.8 t -131.33 126.9 21.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.72 13.67 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 101' ' ' LEU . 8.0 mt -96.37 26.15 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.75 -12.56 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -125.54 -33.85 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.777 HG11 ' HH2' ' A' ' 135' ' ' TRP . 88.9 t -56.11 137.12 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.77 90.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 124' ' ' LEU . 46.4 mt -74.58 -66.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.626 HG12 HD11 ' A' ' 23' ' ' LEU . 8.5 m -40.24 -41.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -82.44 -29.06 30.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 114.42 161.32 13.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.96 132.85 6.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -153.75 109.24 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.777 ' HH2' HG11 ' A' ' 127' ' ' VAL . 42.8 p90 -152.89 179.35 8.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.9 m95 -122.0 122.28 38.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 122' ' ' VAL . 12.3 mttm -117.93 176.56 5.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.2 142.19 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.31 140.71 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.0 pt -113.73 151.0 44.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.689 0.757 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.32 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -94.38 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.12 -157.85 27.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.6 mtp -149.77 144.01 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 35' ' ' ALA . 13.6 tp -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.617 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 12.8 t-160 -93.76 127.62 39.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -159.37 172.39 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.9 p -150.31 132.92 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.453 ' HB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t -105.76 116.47 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -139.65 119.81 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -91.48 134.37 34.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 m-20 -99.2 129.92 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD21 HG22 ' A' ' 130' ' ' VAL . 3.8 mm? -85.63 -39.98 16.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -42.58 -43.47 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 26.6 m-70 -111.67 -7.71 14.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 62.35 37.72 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -118.38 169.35 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -101.99 116.63 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.77 97.95 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.82 102.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -92.33 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.8 t -84.38 102.72 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 34' ' ' GLU . 11.7 mt -80.64 164.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.576 ' N ' HG22 ' A' ' 33' ' ' ILE . 6.2 pt-20 -54.4 173.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.725 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -149.31 176.09 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -157.5 172.03 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 70.93 41.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.32 129.42 29.28 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.18 69.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.551 ' HB3' HG13 ' A' ' 74' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.1 Cg_endo -69.8 135.64 30.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -152.27 136.27 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 105' ' ' VAL . 58.8 t -97.87 139.87 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' HG13 ' A' ' 60' ' ' ILE . 14.3 mtpp -99.31 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' LYS . 10.6 mt -137.88 118.24 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -133.82 132.31 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.19 91.67 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 26.4 mt -58.83 154.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.341 -0.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ILE . 8.0 tppt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.672 0.272 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.9 pt20 -129.7 150.79 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -83.47 166.7 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.31 -170.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' A' ' 55' ' ' ASN . 92.7 t -124.58 122.48 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -106.93 169.3 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' LYS . 55.6 mmm-85 -76.28 156.53 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' ARG . 15.2 pttt -36.48 115.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 78' ' ' THR . 12.3 t -163.68 117.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -45.64 -55.41 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 4.0 mptt -99.74 100.23 10.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.75 154.5 67.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.1 t -131.43 92.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 20.1 m-85 -98.6 -51.71 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER 33.57 47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -102.28 168.39 9.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -136.0 151.84 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 p -128.0 148.59 50.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -141.12 123.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -71.46 94.81 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 1.5 tt -154.19 133.04 7.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 139.21 39.68 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.478 ' O ' ' C ' ' A' ' 94' ' ' LEU . 31.5 t80 -37.39 -64.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' PHE . 8.6 mp -31.93 -54.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE2' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -61.42 -52.46 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.58 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -47.71 -41.49 22.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -71.75 -35.33 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 95' ' ' GLU . 18.2 mmt85 -74.39 150.78 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 122' ' ' VAL . 41.6 m -116.87 131.93 56.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' HD11 ' A' ' 124' ' ' LEU . 11.2 tp -78.94 105.03 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 119' ' ' LYS . 3.9 tt -121.48 124.88 45.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.467 HD11 HD11 ' A' ' 101' ' ' LEU . 4.5 mp -115.45 114.68 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.9 m -101.33 111.51 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 58' ' ' VAL . 47.4 t -80.49 110.69 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 44.0 t -127.36 142.42 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.1 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 58.5 mt -50.18 -52.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -179.19 178.93 48.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.694 ' HB2' HD21 ' A' ' 102' ' ' LEU . 9.2 pttp -142.77 160.37 40.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.6 t -134.47 100.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.466 ' HB3' HD12 ' A' ' 102' ' ' LEU . 90.3 p -96.35 143.33 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 100' ' ' THR . 14.4 p -152.23 130.17 6.04 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.746 2.297 . . . . 0.0 112.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.792 ' O ' HD11 ' A' ' 129' ' ' LEU . 11.1 mt -88.47 34.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.2 p -116.21 -22.8 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.84 -45.6 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.789 HG21 ' CH2' ' A' ' 135' ' ' TRP . 10.2 p -67.7 145.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.14 99.35 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 124' ' ' LEU . 10.2 mt -75.21 -52.6 10.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.504 HG22 HD21 ' A' ' 23' ' ' LEU . 87.8 t -47.13 -38.91 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -80.86 -68.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.02 165.81 18.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.629 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -145.22 61.22 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.6 t-80 -83.63 98.7 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.789 ' CH2' HG21 ' A' ' 127' ' ' VAL . 9.1 p90 -147.81 174.02 12.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.617 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.7 m95 -115.02 132.93 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.427 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.3 mttt -127.51 156.82 41.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.29 126.83 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.498 HD21 ' CG2' ' A' ' 105' ' ' VAL . 4.4 mp -56.24 157.3 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 5.9 pt -135.46 152.72 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.072 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -46.69 -52.34 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.26 -156.49 27.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.464 ' HA ' HD12 ' A' ' 139' ' ' LEU . 50.6 mtp -146.01 155.99 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 35' ' ' ALA . 17.2 tp -132.06 141.52 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.6 t-160 -98.28 129.13 45.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.37 168.42 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.39 139.74 20.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 19' ' ' THR . 9.5 t -116.9 114.92 24.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -134.44 126.16 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -96.63 131.53 43.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.47 127.7 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ASN . 3.7 mm? -81.27 -54.87 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.608 HD23 ' H ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -40.62 -44.65 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.608 ' H ' HD23 ' A' ' 24' ' ' LEU . 31.7 m170 -94.79 -10.55 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' LEU . 38.1 m-80 51.25 51.34 17.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -146.28 170.91 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.41 125.87 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.9 m -115.12 101.47 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -96.45 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.01 102.39 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 35.9 m -71.62 125.54 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 34' ' ' GLU . 27.8 mt -108.77 165.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.629 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.3 pt-20 -58.43 -178.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.649 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.72 176.97 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -165.8 168.78 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.04 26.38 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.1 127.77 50.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 133.52 25.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.4 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 53.7 Cg_endo -69.7 172.77 11.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 28.0 p90 -166.27 132.91 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.755 HG22 HG22 ' A' ' 105' ' ' VAL . 70.8 t -101.1 160.33 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 58' ' ' VAL . 18.3 mtpp -126.35 163.82 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.1 mt -133.52 151.21 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 t -165.66 169.81 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.5 mt -125.81 100.0 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 35.8 mt -65.69 155.73 85.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.31 -0.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -148.63 132.74 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 83' ' ' PHE . 69.0 p -83.5 142.74 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -40.89 118.78 1.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.8 112.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -74.36 167.67 21.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -131.91 139.31 48.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 mttp 59.31 52.74 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -159.96 140.27 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -89.55 -29.96 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.1 ptmt -107.99 94.35 12.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.556 0.694 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 54.3 Cg_endo -69.74 101.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 84' ' ' GLU . 2.3 p -101.46 95.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.519 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 1.4 m-85 -81.59 -42.65 19.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HG3' HG23 ' A' ' 82' ' ' VAL . 25.7 mt-10 43.0 49.36 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 10.3 tp10 -110.65 166.09 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 31.5 ttp180 -121.88 132.91 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -123.02 167.45 13.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.9 p -136.25 147.38 47.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 91' ' ' ILE . 20.8 m-85 -145.44 111.0 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.94 87.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.695 HD11 ' HG2' ' A' ' 95' ' ' GLU . 3.4 tt -134.4 131.37 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.3 Cg_endo -69.73 131.22 20.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 94' ' ' LEU . 71.1 t80 -34.63 -66.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -33.64 -48.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.695 ' HG2' HD11 ' A' ' 91' ' ' ILE . 31.1 tt0 -62.17 -51.25 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -37.77 -51.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -51.99 -50.4 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -65.23 -43.81 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 95' ' ' GLU . 23.6 mmt85 -70.29 153.95 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.523 HG23 ' C ' ' A' ' 122' ' ' VAL . 54.2 m -123.42 142.15 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 tp -91.1 113.92 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 119' ' ' LYS . 5.7 tt -130.01 121.18 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.5 144.22 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.2 m -123.54 119.16 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.755 HG22 HG22 ' A' ' 58' ' ' VAL . 55.5 t -97.08 123.77 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 116' ' ' VAL . 2.8 t -123.56 144.75 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.425 ' CG ' HD11 ' A' ' 117' ' ' ILE . 1.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 106' ' ' VAL . 26.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.336 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 107' ' ' ASP . 12.5 mm -75.91 -39.08 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.6 -178.42 43.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.684 ' HB2' HD21 ' A' ' 102' ' ' LEU . 52.6 pttt -139.31 145.56 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.29 104.1 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.51 151.27 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.523 ' C ' HG23 ' A' ' 100' ' ' THR . 7.4 p -158.05 127.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.635 0.731 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.71 11.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.581 HD22 HD21 ' A' ' 129' ' ' LEU . 6.1 mt -85.16 26.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.6 t -84.49 -52.24 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' VAL . 17.8 pt-20 -87.08 -45.29 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 126' ' ' GLU . 49.2 t -36.98 145.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 74.53 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.581 HD21 HD22 ' A' ' 124' ' ' LEU . 84.9 mt -55.99 -47.96 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.6 t -41.96 -39.2 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 -74.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.46 175.62 40.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.586 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -138.73 61.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.412 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t-160 -84.26 104.42 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.586 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.4 p90 -153.18 179.6 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.9 m95 -124.31 131.51 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 15.2 mttm -128.55 164.72 22.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.22 139.44 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 14' ' ' MET . 4.8 mp -74.05 149.97 40.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.3 pt -123.68 151.13 63.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 99.98 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 p -148.02 163.35 37.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -67.64 171.59 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.51 -163.75 12.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -135.98 125.49 25.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 t -154.59 118.44 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.2 -139.06 7.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -53.31 117.51 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -43.43 166.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -111.31 103.83 12.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -92.54 41.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.78 -47.57 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.86 -160.81 28.43 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.0 mtp -145.92 144.56 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -128.9 137.6 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.2 t-160 -94.18 134.65 36.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -159.25 152.76 22.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.7 p -132.66 128.2 36.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 19' ' ' THR . 14.2 t -109.83 115.08 29.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.5 136.43 36.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 3.9 t80 -106.38 130.32 54.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.947 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -90.3 120.25 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.022 HD21 HG12 ' A' ' 130' ' ' VAL . 3.8 mm? -78.15 -37.09 46.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.02 -43.56 98.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.57 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 31.6 m170 -90.8 -15.43 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 60.26 45.33 11.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.57 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.7 p-80 -143.47 168.0 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' HD21 ' A' ' 62' ' ' LEU . 34.8 tp -93.58 117.78 30.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 m -100.94 98.65 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.73 103.06 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -92.07 124.08 35.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 72' ' ' THR . 1.8 m -79.77 128.66 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 34' ' ' GLU . 18.8 mt -110.01 163.32 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' N ' HG22 ' A' ' 33' ' ' ILE . 7.7 pt-20 -61.17 -179.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.37 -179.15 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -163.71 170.22 17.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 64.81 43.62 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.3 mt -103.53 135.46 19.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.676 0.75 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD2' HD13 ' A' ' 117' ' ' ILE . 53.7 Cg_endo -69.73 152.28 69.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 170.01 17.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 95.85 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.1 mm -130.75 148.91 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 t -98.71 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -89.38 -63.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -168.91 -179.3 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 132.14 121.34 2.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.463 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -50.72 -178.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.0 96.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -58.8 137.34 57.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.84 145.27 42.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 mtm 45.1 53.54 7.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.2 91.96 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -127.56 127.82 44.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 4.4 m -129.6 -176.21 3.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 3.5 p30 -107.1 84.41 1.64 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 54' ' ' SER . 53.6 Cg_endo -69.8 166.41 27.75 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 0.0 112.391 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CD1' ' HB2' ' A' ' 108' ' ' PHE . 37.7 p90 -158.5 155.1 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -111.39 140.74 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -107.08 164.09 12.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.97 154.21 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.99 154.67 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 28' ' ' LEU . 16.1 mt -120.48 95.84 4.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 8.8 mp -58.86 161.81 8.04 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.578 0.704 . . . . 0.0 110.948 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo -69.79 -10.35 11.51 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.811 . . . . 0.0 112.358 -0.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.32 112.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -120.64 31.4 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -104.74 -64.65 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -75.87 82.81 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.5 p -99.56 141.62 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -102.46 171.88 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -157.53 136.18 11.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.637 HG21 HG21 ' A' ' 32' ' ' VAL . 70.1 p -79.03 159.94 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -48.13 172.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 69.7 t -101.61 118.26 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.145 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -83.89 168.14 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 22.4 mmt85 -83.22 164.98 19.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.481 ' N ' ' HE2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -34.23 110.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -165.05 150.24 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -84.96 -39.11 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -101.92 99.8 13.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.94 3.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.54 127.4 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -128.66 -41.05 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 55.74 46.07 23.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 32' ' ' VAL . 7.8 tp10 -104.23 152.68 21.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -107.23 150.75 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -136.68 160.7 38.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.565 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 5.1 p -130.13 155.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.609 ' O ' HG22 ' A' ' 91' ' ' ILE . 50.1 m-85 -154.11 110.04 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.0 95.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.9 tt -141.39 132.32 13.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.71 126.84 13.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.377 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 92' ' ' PRO . 55.2 t80 -34.45 -61.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' PHE . 37.7 mt -34.13 -50.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -68.87 -48.7 62.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.02 -54.47 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -50.04 -39.26 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -76.61 -34.21 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -72.16 165.82 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.449 HG23 ' C ' ' A' ' 122' ' ' VAL . 45.2 m -133.35 137.62 45.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.595 HD22 ' HB ' ' A' ' 19' ' ' THR . 5.4 tp -85.91 111.24 20.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 119' ' ' LYS . 8.1 tp -118.44 131.12 56.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 102' ' ' LEU . 4.0 mp -119.43 128.64 54.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.4 m -113.28 134.16 54.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.479 ' CG2' HD21 ' A' ' 139' ' ' LEU . 48.4 t -107.79 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.425 HG22 ' HB ' ' A' ' 116' ' ' VAL . 15.4 t -122.34 138.34 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 108' ' ' PHE . 23.3 t0 -79.69 152.02 30.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.543 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 31.2 t80 -121.9 121.02 36.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.468 ' N ' ' HB2' ' A' ' 112' ' ' SER . 27.6 t0 -175.15 163.77 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -40.11 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -87.42 38.17 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.468 ' HB2' ' N ' ' A' ' 109' ' ' ASP . 1.0 OUTLIER -91.93 78.57 5.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -60.56 173.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -77.73 57.42 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' VAL . 36.2 m -102.42 51.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.425 ' HB ' HG22 ' A' ' 106' ' ' VAL . 1.6 p -35.82 136.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.429 HD13 ' HD2' ' A' ' 39' ' ' PRO . 81.9 mt -70.87 -43.62 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.491 ' C ' HD23 ' A' ' 139' ' ' LEU . . . 178.4 169.51 39.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.629 ' HB2' HD11 ' A' ' 102' ' ' LEU . 10.7 ptmt -127.74 166.26 18.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.359 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 102' ' ' LEU . 55.3 t -144.1 107.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.506 ' HB3' HD13 ' A' ' 102' ' ' LEU . 80.3 p -103.9 144.98 30.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.501 HG21 ' CZ2' ' A' ' 135' ' ' TRP . 8.7 p -153.31 121.55 3.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.606 0.717 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 130.11 18.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.817 ' HB3' HD21 ' A' ' 129' ' ' LEU . 0.4 OUTLIER -91.69 18.44 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.8 t -82.08 -47.93 11.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.89 -51.88 9.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 91.4 t -53.11 150.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.097 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.07 99.01 10.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.817 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.2 mt -64.16 -52.93 56.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 1.022 HG12 HD21 ' A' ' 23' ' ' LEU . 15.4 m -43.97 -32.85 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -93.37 -22.91 18.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 99.14 159.08 29.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -130.68 153.32 20.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.493 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 9.0 t-160 -170.43 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.501 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 35.7 p90 -153.01 179.08 9.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 17.4 m95 -120.28 133.28 55.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.411 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 44.1 mttt -129.58 163.0 26.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 139' ' ' LEU . . . -108.64 111.13 22.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 118' ' ' GLY . 4.9 mp -37.25 142.79 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.8 pt -117.5 152.73 49.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 0.0 111.164 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.329 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 38.9 t -52.97 159.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.89 -176.69 23.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.64 69.06 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.392 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 m -145.73 124.14 12.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.0 t -102.94 43.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -155.03 163.49 40.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -114.36 173.97 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.03 -154.88 25.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -92.36 101.69 14.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 p -47.59 147.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -64.16 -105.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 32.2 t -37.78 148.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.97 0.414 . . . . 0.0 110.816 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -83.6 134.23 34.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.1 m-85 -38.87 -64.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 49.81 34.86 8.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.8 mt -88.91 -42.31 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.53 -156.26 26.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.0 mtp -150.65 146.21 26.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 35' ' ' ALA . 11.3 tp -124.4 141.73 51.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.544 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.1 t-160 -100.12 130.22 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE1' HG11 ' A' ' 120' ' ' VAL . 33.2 p90 -153.44 155.23 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' ' 33' ' ' ILE . 91.1 p -136.47 119.13 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' THR . 9.6 t -102.63 116.67 33.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' HA3' ' A' ' 132' ' ' GLY . 1.1 tp-100 -138.48 128.22 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -96.71 129.68 44.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.43 113.36 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HA ' HD13 ' A' ' 23' ' ' LEU . 4.0 mm? -70.81 -39.61 72.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 24' ' ' LEU . 7.3 tt -52.25 -48.29 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 94.9 m-70 -98.42 -3.95 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 53.6 43.19 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -129.13 175.04 9.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.4 tp -107.14 104.34 13.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.415 HG22 ' HD2' ' A' ' 86' ' ' ARG . 11.1 m -84.39 97.11 9.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.3 t -103.13 106.15 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -97.4 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.12 106.74 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.577 HG22 ' N ' ' A' ' 34' ' ' GLU . 21.7 mt -85.35 166.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.577 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.9 pt-20 -63.82 -178.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.577 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -150.71 177.56 9.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -162.23 170.78 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 68.54 31.97 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -96.39 138.94 21.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.638 0.732 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 143.97 52.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HG2' HD11 ' A' ' 42' ' ' ILE . 53.6 Cg_endo -69.74 168.83 20.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 95.05 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 45' ' ' ASP . 41.3 mt -135.14 139.91 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.5 m -93.77 88.3 5.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 42.21 54.89 4.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.468 ' HB3' ' CG2' ' A' ' 42' ' ' ILE . 3.1 t70 -135.96 179.43 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.85 -110.87 1.02 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -128.09 39.91 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.362 . . . . 0.0 110.872 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -83.11 40.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -149.77 160.31 43.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -140.78 158.82 43.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 50' ' ' ASP . 9.9 ptp 33.12 35.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -88.9 103.42 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -111.62 -179.11 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 t -168.59 176.85 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.5 p-10 -107.69 84.04 1.83 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 170.06 17.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.367 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -166.77 136.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 105' ' ' VAL . 66.4 t -94.63 148.18 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -116.07 163.96 15.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.42 146.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 p -158.72 126.27 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.0 mt -92.07 97.14 10.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 3.1 mm? -76.36 155.51 83.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.1 Cg_endo -69.75 -31.45 4.54 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 -1.785 . . . . 0.0 112.357 -0.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -35.53 128.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -127.35 34.67 4.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -106.92 -56.88 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -87.49 101.66 13.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.3 p -120.36 134.22 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.5 tppt? -110.2 146.87 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.6 pt20 -140.85 150.17 42.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.8 p -87.3 157.27 19.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.65 160.34 37.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.538 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 94.5 t -74.15 127.79 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 14.1 mmmt -91.95 164.9 13.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 77' ' ' LYS . 26.6 mmt180 -80.3 161.26 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 76' ' ' ARG . 52.4 mtmt -35.91 114.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -174.13 146.32 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -81.26 -39.82 24.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.6 ptmt -105.3 99.77 22.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 53.3 Cg_endo -69.8 122.97 9.63 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.521 HG22 ' CB ' ' A' ' 34' ' ' GLU . 59.4 t -124.53 88.22 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 81' ' ' PRO . 1.1 m-85 -81.43 -54.33 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE1' HG12 ' A' ' 82' ' ' VAL . 22.5 mt-10 60.01 45.29 12.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -108.97 156.08 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HD2' HG22 ' A' ' 29' ' ' THR . 7.7 tpp180 -104.97 143.99 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -141.58 148.51 39.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.8 p -130.19 166.86 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.584 ' O ' HG22 ' A' ' 91' ' ' ILE . 86.4 m-85 -152.75 122.12 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.7 80.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.3 tt -132.16 132.07 22.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 131.37 21.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.246 . . . . 0.0 112.418 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.589 ' CE2' ' NE2' ' A' ' 97' ' ' GLN . 75.4 t80 -38.93 -61.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.3 -43.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' ARG . 40.1 tt0 -73.92 -46.02 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.554 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -37.41 -42.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.589 ' NE2' ' CE2' ' A' ' 93' ' ' PHE . 77.0 mt-30 -64.43 -40.75 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.4 mtm180 -68.69 -26.09 65.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -90.0 161.86 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.0 m -123.72 148.07 46.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.636 HD23 HG11 ' A' ' 122' ' ' VAL . 9.4 tp -94.59 103.78 15.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 103' ' ' LEU . 1.8 tm? -117.81 127.26 53.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.757 ' N ' HD13 ' A' ' 102' ' ' LEU . 2.4 mp -121.87 127.81 50.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 m -111.86 126.58 55.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 58' ' ' VAL . 73.1 t -94.04 114.35 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.895 HG22 HG12 ' A' ' 116' ' ' VAL . 40.8 t -117.47 148.51 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.33 103.64 11.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.46 113.94 2.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -96.48 176.01 6.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.56 -44.18 14.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 112' ' ' SER . 49.1 m-85 -81.15 43.51 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 111' ' ' PHE . 23.2 t 34.55 54.74 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -97.06 128.63 44.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.5 ' H ' ' CD2' ' A' ' 114' ' ' HIS . 0.4 OUTLIER -109.53 88.45 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.2 m -129.62 86.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.895 HG12 HG22 ' A' ' 106' ' ' VAL . 16.1 m -58.91 140.93 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 70.7 mt -78.67 -40.21 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.85 -178.11 48.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -141.83 163.43 32.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.564 ' O ' HD22 ' A' ' 102' ' ' LEU . 50.6 t -136.95 118.32 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.583 ' HB3' HD23 ' A' ' 102' ' ' LEU . 95.0 p -107.04 149.33 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.636 HG11 HD23 ' A' ' 101' ' ' LEU . 14.9 p -161.61 120.7 1.46 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 131.21 20.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.763 ' HB3' HD21 ' A' ' 129' ' ' LEU . 4.9 mt -95.75 18.06 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.75 -21.89 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.77 -36.84 6.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.472 HG11 ' HH2' ' A' ' 135' ' ' TRP . 80.5 t -62.06 137.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.63 83.89 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.6 mt -60.46 -40.32 90.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.417 HG22 HD21 ' A' ' 23' ' ' LEU . 63.6 t -58.01 -45.1 88.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.47 -29.16 41.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.446 ' HA3' ' NE2' ' A' ' 20' ' ' GLN . . . 116.73 161.12 12.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -133.18 132.22 6.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -157.65 107.15 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.492 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 39.0 p90 -152.17 179.33 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.544 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 22.1 m95 -122.45 130.97 53.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.409 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.0 mttt -126.07 171.83 10.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.06 128.57 56.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.42 145.21 44.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.65 152.09 46.88 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 90.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.242 . . . . 0.0 112.34 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 t -57.81 120.87 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.17 -175.16 50.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.0 t -158.43 137.05 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.5 t -108.15 147.23 31.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -118.67 119.11 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -122.28 88.61 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.36 135.54 12.84 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 m -95.7 140.7 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -162.39 127.87 3.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.85 179.4 47.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -58.42 -23.49 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -150.28 170.68 18.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.734 ' CE1' HG22 ' A' ' 140' ' ' ILE . 1.0 OUTLIER -116.63 142.43 46.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -122.47 82.97 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 74.4 mt -104.91 -48.18 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.46 -148.93 20.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.492 ' HA ' HD12 ' A' ' 139' ' ' LEU . 44.4 mtp -145.86 159.78 42.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.539 HD12 ' HB2' ' A' ' 35' ' ' ALA . 22.7 tp -134.52 130.03 36.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 6.2 t-160 -89.65 134.08 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -159.3 148.61 18.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.1 p -131.25 119.81 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 19' ' ' THR . 6.3 t -108.4 120.55 42.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' CG ' ' HA2' ' A' ' 132' ' ' GLY . 11.8 tm0? -143.46 119.67 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 30.5 t80 -81.49 147.75 29.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.5 m-20 -117.89 136.93 53.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 23' ' ' LEU . 2.1 mm? -90.8 -28.82 17.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 tp -45.73 -42.33 11.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.7 m-70 -121.93 -1.72 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 61.33 44.91 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.9 p-80 -127.43 167.87 15.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.58 110.1 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.27 100.06 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -100.12 106.66 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -92.13 103.94 16.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 72' ' ' THR . 92.6 t -68.45 104.77 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 34' ' ' GLU . 37.9 mt -83.58 165.17 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.602 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.5 pt-20 -66.21 -179.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.539 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -147.0 178.07 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 ptt85 -160.73 175.46 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 62.06 41.63 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.945 HD22 HG21 ' A' ' 117' ' ' ILE . 92.8 mt -102.97 140.45 21.07 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.24 15.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.294 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.35 19.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.377 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 83.66 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.613 HG22 ' N ' ' A' ' 43' ' ' SER . 66.9 mt -145.93 163.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.613 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.1 m -70.84 -58.69 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -79.54 -177.27 5.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -49.03 -49.24 42.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.47 55.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 48' ' ' ARG . 12.3 t -60.67 164.27 4.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' SER . 51.3 mtp85 -36.08 120.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HB3' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -111.28 144.62 40.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -128.2 99.22 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.17 42.17 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.14 126.22 47.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -148.91 -176.88 5.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -159.82 -175.28 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.479 ' HB3' HG13 ' A' ' 74' ' ' VAL . 8.9 m120 -107.49 81.94 1.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.34 56.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 108' ' ' PHE . 22.7 p90 -150.01 151.03 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 61.6 t -105.88 148.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -115.37 162.56 16.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 32' ' ' VAL . 6.8 mt -133.26 154.36 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -168.8 147.3 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.59 91.95 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 56.9 mt -60.53 154.85 53.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.7 Cg_endo -69.82 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.341 -0.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -46.68 120.92 3.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -104.61 -1.86 25.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -57.22 -69.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -63.49 90.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -118.0 124.76 48.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HE3' ' CD1' ' A' ' 87' ' ' TYR . 8.1 tppt? -104.31 148.27 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 6.9 pt20 -133.65 140.34 47.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.554 HG21 HG11 ' A' ' 32' ' ' VAL . 54.5 p -66.77 -52.36 44.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.4 -177.29 23.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.437 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 55' ' ' ASN . 74.4 t -98.3 108.61 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.901 0.381 . . . . 0.0 111.114 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -81.45 167.25 19.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 78' ' ' THR . 26.1 mmm180 -82.18 158.47 23.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' ARG . 11.1 mptt -35.91 112.67 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 76' ' ' ARG . 14.7 t -175.1 128.26 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -61.12 -38.95 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -103.39 94.93 6.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.7 Cg_endo -69.74 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.734 2.289 . . . . 0.0 112.319 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.77 112.39 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 19.8 m-85 -101.59 -49.79 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.48 41.31 0.44 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -105.43 166.14 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -123.03 145.61 48.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.487 ' CD1' ' HE3' ' A' ' 70' ' ' LYS . 75.4 m-85 -143.43 162.78 34.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.558 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -128.13 162.54 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 88' ' ' THR . 51.4 m-85 -154.26 114.31 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.84 94.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.6 tt -147.27 133.47 9.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.0 Cg_endo -69.79 131.45 21.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 49.6 t80 -37.27 -60.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.8 mp -36.34 -59.18 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 98' ' ' ARG . 24.8 tt0 -58.99 -44.43 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 93' ' ' PHE . . . -38.51 -45.16 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.06 -42.02 99.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLU . 54.6 mtt85 -68.62 -33.13 73.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -82.65 158.6 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 122' ' ' VAL . 24.0 m -122.28 144.94 48.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.642 ' O ' HG12 ' A' ' 122' ' ' VAL . 17.7 tp -96.56 103.42 15.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 102' ' ' LEU . 10.4 tt -117.78 128.03 54.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 mp -113.43 112.22 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 106' ' ' VAL . 92.9 m -88.99 111.59 22.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -84.59 105.82 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.419 HG23 HG22 ' A' ' 104' ' ' THR . 60.0 t -113.97 147.53 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -114.12 99.16 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.412 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 16.0 t80 -67.43 177.21 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -168.49 162.65 12.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.54 -34.06 41.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -89.5 38.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 35.4 p 43.74 33.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' HIS . 17.9 mmt180 -85.46 11.86 9.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.549 ' O ' ' CD2' ' A' ' 114' ' ' HIS . 0.2 OUTLIER -36.19 125.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 68.4 m -142.78 127.5 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 116' ' ' VAL . 12.9 p -73.54 127.75 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.945 HG21 HD22 ' A' ' 38' ' ' LEU . 23.8 mm -80.12 -41.66 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 168.08 177.96 39.64 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.906 ' HE3' HD11 ' A' ' 140' ' ' ILE . 31.1 pttt -131.77 144.94 51.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 38.7 t -128.96 108.39 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.1 p -97.44 149.59 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.705 HG21 ' HZ2' ' A' ' 135' ' ' TRP . 2.3 p -155.87 121.74 2.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 133.82 26.42 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 129' ' ' LEU . 10.0 mt -100.26 15.91 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.6 p -95.9 -1.11 49.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -122.84 -40.42 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.6 HG11 ' CH2' ' A' ' 135' ' ' TRP . 26.0 t -67.07 131.33 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.28 73.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 124' ' ' LEU . 6.3 mt -49.42 -51.32 36.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 93' ' ' PHE . 86.8 t -37.97 -43.59 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -82.98 -66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.403 ' HA2' ' CG ' ' A' ' 20' ' ' GLN . . . 162.32 159.71 10.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -133.41 133.09 6.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.495 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 11.3 t-160 -158.58 106.31 1.89 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.79 0.329 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.705 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 37.9 p90 -152.86 178.63 9.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.7 m95 -121.08 129.73 53.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -124.28 162.0 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.76 136.04 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.4 mp -70.08 154.85 41.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.906 HD11 ' HE3' ' A' ' 119' ' ' LYS . 7.3 pt -131.45 151.79 79.36 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.733 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.12 2.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.0 t -64.85 174.9 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.8 -176.16 53.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 90.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.0 m -50.08 -72.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 95.7 p -78.63 157.82 28.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -112.85 116.59 30.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.917 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 p -126.59 138.69 53.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.49 135.52 16.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -109.11 159.16 17.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.864 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -117.77 45.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.93 50.84 2.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -156.07 131.2 9.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 5.3 tmtt? -129.43 141.8 50.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.476 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -75.85 124.03 26.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -106.94 32.56 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -50.05 -57.25 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.95 -158.11 28.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtp -143.61 147.35 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' A' ' 35' ' ' ALA . 12.4 tp -129.49 140.06 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.9 t-160 -100.09 134.46 42.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.454 ' CE1' HG11 ' A' ' 120' ' ' VAL . 28.5 p90 -158.71 153.23 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 p -133.28 121.26 22.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.1 t -106.18 119.69 39.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -142.48 140.02 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -107.98 139.52 42.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -105.11 130.81 53.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.58 -39.15 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD22 ' NE2' ' A' ' 25' ' ' HIS . 10.5 tt -48.65 -45.47 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 96.5 m-70 -100.93 -15.68 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 63.62 47.93 3.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.8 p-80 -139.44 165.83 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -91.93 113.87 26.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -94.82 99.81 11.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.5 t -101.02 108.67 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 ttt85 -96.37 102.91 14.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG23 ' H ' ' A' ' 85' ' ' GLU . 18.9 m -64.78 120.83 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 34' ' ' GLU . 9.2 mt -101.87 169.46 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.596 ' H ' HG22 ' A' ' 33' ' ' ILE . 12.6 pt-20 -66.88 178.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.689 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.77 -179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -165.43 169.66 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t0 69.42 41.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -98.76 125.19 43.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.22 64.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.401 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 167.89 23.14 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mm -117.3 142.4 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.6 t -139.03 109.9 6.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.8 m170 42.25 42.93 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.5 177.58 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.69 -46.8 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -88.76 97.04 10.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -134.06 176.01 8.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.792 ' CB ' ' HB2' ' A' ' 52' ' ' ALA . 26.2 mt-30 -51.61 133.12 30.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.7 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 mtm -87.25 42.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.792 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -92.44 123.76 35.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.075 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.542 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 12.4 t-80 -168.93 143.76 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.6 m -94.76 -69.1 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.486 ' HB2' HG13 ' A' ' 74' ' ' VAL . 3.7 p-10 -174.91 105.78 0.26 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HD3' ' CE1' ' A' ' 53' ' ' HIS . 53.8 Cg_endo -69.77 136.71 33.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 13.8 p90 -150.86 134.99 16.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.16 149.35 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' C ' HG13 ' A' ' 60' ' ' ILE . 40.1 mtpt -114.82 160.61 19.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 59' ' ' LYS . 6.5 mt -137.84 135.04 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -153.63 133.33 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.5 mt -94.78 97.23 9.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 77.2 mt -66.07 154.38 89.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo -69.69 -34.55 3.01 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.297 -0.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.51 125.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 67' ' ' LYS . 36.3 mt-30 -116.48 -29.54 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' GLN . 22.8 ttpt -37.22 -71.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -61.26 108.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -122.58 121.35 36.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 11.8 tppt? -115.17 145.7 42.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 5.8 pt20 -128.57 167.53 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.471 HG22 HG21 ' A' ' 32' ' ' VAL . 39.6 p -85.39 -29.37 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.73 -148.24 18.67 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG13 ' HB2' ' A' ' 55' ' ' ASN . 72.5 t -132.39 137.2 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 111.134 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 39.1 mmtm -127.46 169.22 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 40.7 mmt180 -86.95 163.6 17.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 26.9 mtmt -35.34 110.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 78' ' ' THR . 14.8 t -159.55 121.79 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.4 -17.97 64.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -127.0 88.33 54.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.28 14.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.56 129.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -128.47 -30.39 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 41.18 54.41 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' H ' HG23 ' A' ' 32' ' ' VAL . 39.2 tp10 -106.8 156.18 18.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 20.4 ttm180 -113.16 132.2 55.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -126.64 152.57 46.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.467 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.2 p -119.25 151.92 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.467 ' CD1' ' O ' ' A' ' 88' ' ' THR . 30.2 m-85 -143.94 126.32 15.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.81 94.97 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -148.01 133.74 9.51 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.597 0.713 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.77 129.76 18.15 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 92' ' ' PRO . 69.4 t80 -36.45 -56.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -39.61 -58.15 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.23 -45.53 94.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.14 -44.69 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -54.18 -44.38 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -70.46 -46.07 64.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -54.08 164.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 122' ' ' VAL . 92.9 m -135.8 138.76 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HB3' HG13 ' A' ' 122' ' ' VAL . 16.5 tp -80.95 113.3 19.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 121' ' ' SER . 0.9 OUTLIER -122.99 115.71 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 101' ' ' LEU . 1.7 mp -116.51 103.85 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.7 m -91.42 129.76 37.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.37 105.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 1.8 t -118.14 143.72 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -112.36 110.58 20.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -75.55 115.29 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.25 179.31 7.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HD2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -82.22 -14.48 55.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 98.1 m-85 -96.63 28.59 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 t 51.45 45.3 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -114.79 127.47 55.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 7.9 p80 -102.7 84.11 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 54.1 t -82.63 108.74 16.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.7 t -77.57 118.87 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 64.9 mt -82.42 -43.12 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.25 -176.47 48.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -151.75 163.04 40.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 17' ' ' PHE . 68.9 t -133.97 112.87 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.408 ' CB ' HD23 ' A' ' 102' ' ' LEU . 3.8 p -103.77 143.78 32.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 101' ' ' LEU . 2.0 p -155.89 125.71 3.24 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.5 17.72 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.929 HD22 HD21 ' A' ' 129' ' ' LEU . 96.6 mt -84.38 15.0 3.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.9 t -98.07 -10.19 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -101.89 -47.3 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -75.65 137.07 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.07 82.57 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.929 HD21 HD22 ' A' ' 124' ' ' LEU . 8.9 mt -44.15 -51.8 7.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 129' ' ' LEU . 88.8 t -36.07 -55.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -70.58 -59.13 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 146.94 156.55 6.99 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -125.99 135.92 9.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.53 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.404 ' NE2' ' CE1' ' A' ' 16' ' ' HIS . 9.8 t-160 -164.16 105.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.543 ' CD1' ' HE2' ' A' ' 137' ' ' LYS . 34.1 p90 -152.92 179.2 8.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 19.8 m95 -117.96 136.23 53.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.543 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 11.9 mttm -135.27 164.23 28.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.43 133.27 46.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.01 148.5 43.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.9 pt -123.06 150.8 60.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 111.154 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 100.58 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 34.9 t -59.47 166.23 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.805 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 150.1 143.25 3.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -43.74 2.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 58.1 m -73.59 117.01 14.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 52.7 p -127.44 131.41 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 p -149.09 128.06 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.882 0.373 . . . . 0.0 110.834 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 t -121.73 123.56 42.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.53 -79.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 48.95 42.56 20.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -96.42 158.62 15.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.47 74.01 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.9 t -50.21 -54.96 17.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.948 0.404 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 4.5 tmtm? -142.2 143.01 32.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -96.17 68.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -61.41 79.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' TYR . 54.2 mt -103.36 -48.27 4.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.85 -147.21 18.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.556 ' HA ' HD12 ' A' ' 139' ' ' LEU . 65.0 mtp -154.32 154.25 33.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 35' ' ' ALA . 9.3 tp -131.5 135.73 47.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.648 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 6.2 t-160 -94.22 129.14 40.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -158.68 170.68 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.04 142.67 23.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.17 116.39 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -135.29 116.83 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 9.6 t80 -90.44 125.12 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -88.39 133.82 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.8 mt -87.71 -33.93 18.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -55.63 -49.69 72.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 7.4 m-70 -97.55 -10.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m120 58.02 47.49 14.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -130.99 169.21 16.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.9 tp -101.0 107.4 18.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.9 m -91.66 100.97 13.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -109.65 109.62 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.758 HH21 HD11 ' A' ' 33' ' ' ILE . 22.7 ttp180 -95.37 128.25 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -91.59 106.18 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.758 HD11 HH21 ' A' ' 31' ' ' ARG . 56.8 mt -87.42 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.634 ' N ' HG22 ' A' ' 33' ' ' ILE . 18.1 pt-20 -58.57 177.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -147.31 -179.23 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -163.03 176.42 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 64.54 34.73 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD22 HG21 ' A' ' 117' ' ' ILE . 91.2 mt -97.57 136.75 21.14 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 123.29 9.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.91 26.0 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 91.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.608 HG21 ' HA2' ' A' ' 46' ' ' GLY . 3.1 mm -130.03 155.63 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 42' ' ' ILE . 21.2 t -79.57 -177.89 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -43.24 -43.69 4.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.54 109.39 20.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.608 ' HA2' HG21 ' A' ' 42' ' ' ILE . . . -96.73 103.98 2.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.7 t -116.12 -64.44 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -131.5 158.51 40.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -112.86 43.32 1.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -68.82 122.76 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.2 mtm 51.69 48.56 22.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.596 ' C ' ' CD2' ' A' ' 53' ' ' HIS . . . -126.07 112.76 16.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.596 ' CD2' ' C ' ' A' ' 52' ' ' ALA . 2.2 m-70 -151.69 170.31 20.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -165.03 178.48 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -114.88 82.8 8.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 175.23 8.41 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -171.28 153.68 3.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 105' ' ' VAL . 60.5 t -108.3 157.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.171 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.503 ' N ' HG12 ' A' ' 58' ' ' VAL . 35.9 mtpt -122.88 155.7 36.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.6 mt -130.75 139.41 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 p -157.6 144.06 17.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.9 mt -103.98 92.68 4.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.562 HD23 ' HG2' ' A' ' 66' ' ' GLN . 19.8 mt -71.97 155.7 91.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.9 Cg_endo -69.76 -36.81 2.2 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -38.74 96.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.562 ' HG2' HD23 ' A' ' 63' ' ' LEU . 7.4 mm100 -97.69 18.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -81.34 -62.32 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -89.65 110.48 21.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -136.85 136.67 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.8 tppt? -107.45 146.46 31.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 2.0 mp0 -125.59 171.52 10.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.4 p -119.53 139.76 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -51.46 161.62 1.66 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 74' ' ' VAL . 3.2 m -86.94 129.62 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.967 0.413 . . . . 0.0 111.086 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HG2' ' CE2' ' A' ' 83' ' ' PHE . 15.9 mmtm -79.31 163.88 24.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 78' ' ' THR . 38.0 mmt180 -76.85 165.23 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ARG . 3.4 pttp -34.09 114.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 76' ' ' ARG . 15.0 t -172.28 161.5 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -95.44 -18.4 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -131.9 100.46 15.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.69 121.52 8.23 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 34' ' ' GLU . 1.5 p -125.11 105.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -102.15 -30.31 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' PHE . 31.7 mt-10 37.86 51.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -112.79 145.25 40.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -98.33 143.09 29.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -134.69 147.65 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.6 p -119.12 159.58 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 88' ' ' THR . 40.4 m-85 -148.08 123.71 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -72.42 87.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.2 tt -144.83 132.27 10.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.617 0.722 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.84 128.11 15.49 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 94' ' ' LEU . 50.6 t80 -36.66 -62.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 93' ' ' PHE . 7.3 mp -35.21 -40.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -79.33 -45.56 19.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.47 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -43.05 -43.78 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -55.89 -37.65 69.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -75.26 -30.17 60.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -76.14 163.75 26.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.2 m -128.61 135.18 48.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.5 tp -83.12 113.54 20.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.3 tm? -122.15 127.05 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -124.88 115.25 20.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.3 m -104.31 136.74 43.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.872 HG22 HG22 ' A' ' 58' ' ' VAL . 69.3 t -108.73 110.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.6 t -111.51 150.55 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.59 139.72 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -108.95 109.72 20.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -86.16 -175.46 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -83.53 -25.44 31.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.38 30.02 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.0 m 50.03 32.28 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -80.27 169.46 17.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -142.48 118.93 10.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 59.1 m -133.71 105.52 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.431 ' H ' HG12 ' A' ' 116' ' ' VAL . 1.6 p -69.65 99.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.43 HG21 HD22 ' A' ' 38' ' ' LEU . 5.9 mm -52.61 -41.93 38.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 171.06 -166.96 40.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.07 159.35 36.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -140.48 117.79 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.451 ' HB3' HD23 ' A' ' 102' ' ' LEU . 4.5 p -108.46 145.32 34.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.7 p -153.56 130.31 5.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 111.186 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.28 20.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.575 ' HB3' HD21 ' A' ' 129' ' ' LEU . 7.1 mt -96.85 23.2 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 47.5 t -86.44 -54.15 4.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.65 -38.44 23.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 49.5 t -46.74 136.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -79.99 62.82 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 124' ' ' LEU . 27.3 mt -40.49 -44.36 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.9 t -43.72 -59.47 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -73.92 -57.61 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.43 172.49 19.72 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.605 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -136.07 60.72 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -83.85 103.82 13.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.5 p90 -152.2 179.4 8.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.648 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 12.2 m95 -122.53 129.49 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.469 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 25.6 mttt -125.74 171.75 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.32 133.79 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.3 mp -66.21 143.01 57.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.9 pt -118.04 155.51 51.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.186 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 112.1 3.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.3 p -69.22 141.15 54.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 167.82 174.05 36.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 141.6 45.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.8 m 39.89 50.48 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 74.0 m -148.32 112.13 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -158.28 167.73 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -92.55 145.47 24.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.23 79.09 0.26 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 p -72.5 135.76 45.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -113.67 -62.35 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.41 -89.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 p -153.62 160.87 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -80.53 178.06 8.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' CE2' HG22 ' A' ' 140' ' ' ILE . 13.3 p90 -119.38 113.71 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -102.32 42.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.78 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.75 -151.56 14.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.9 mtp -157.35 142.28 16.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.55 130.81 47.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 4.0 t-160 -91.39 132.64 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.43 158.26 35.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.2 p -137.73 138.41 39.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -120.59 113.61 20.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.98 120.94 19.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.0 t80 -92.68 136.66 33.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -107.14 120.27 41.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.823 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 mp -76.79 -34.27 57.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -43.9 -42.16 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 31.1 m170 -116.87 10.3 14.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 45.8 47.53 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -132.99 163.68 28.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 tp -99.31 116.71 32.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 m -96.94 103.01 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -103.14 110.68 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -103.53 104.28 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.85 131.74 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.614 HG22 ' N ' ' A' ' 34' ' ' GLU . 38.3 mt -109.52 164.88 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.614 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.6 pt-20 -57.66 177.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.09 179.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -164.94 173.57 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.17 40.35 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.9 mt -96.3 128.19 37.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 146.38 59.98 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.94 61.95 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 54.0 Cg_endo -69.67 97.37 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 mt -140.17 153.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -83.56 -62.34 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -79.9 -179.09 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -69.8 -49.65 50.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -123.09 135.49 10.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.7 m -156.08 167.32 30.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -93.27 92.53 7.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -135.01 111.59 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.81 -60.69 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.4 ptm -125.77 80.3 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' O ' ' CG ' ' A' ' 53' ' ' HIS . . . -111.34 96.47 6.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 89.4 m-70 -164.39 140.38 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -115.77 -66.87 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.521 ' HB2' HG13 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -174.11 105.03 0.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.691 0.758 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.6 Cg_endo -69.72 166.96 25.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.468 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 4.8 p90 -172.91 135.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 59' ' ' LYS . 62.8 t -99.4 152.98 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 58' ' ' VAL . 7.0 mtpm? -115.8 157.44 24.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -133.11 133.08 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.38 147.06 27.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.7 mt -106.94 92.62 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 67.0 mt -64.01 153.04 86.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo -69.8 -25.09 8.24 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.333 -0.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -45.23 120.1 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' LYS . 18.1 mt-30 -112.81 -47.06 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' GLN . 6.3 ptmt -35.0 -49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -82.21 87.71 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.4 m -113.29 165.72 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -139.39 165.72 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.92 149.09 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.561 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 26.6 p -88.08 161.62 17.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -50.09 176.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' ' 55' ' ' ASN . 87.8 t -114.45 110.97 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -94.18 169.35 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 76' ' ' ARG . 2.3 mpt_? -76.1 163.26 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.7 pttm -34.43 120.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -168.89 138.26 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -81.87 -33.33 30.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -114.31 77.87 4.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.722 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.22 34.85 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 82' ' ' VAL . 3.1 p -130.2 111.46 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.561 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 1.2 m-85 -93.01 -43.19 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 46.78 39.83 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -102.34 178.6 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -128.74 145.31 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.95 149.88 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.562 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 9.3 p -124.08 152.18 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 88' ' ' THR . 28.1 m-85 -146.88 120.12 8.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 83.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 89' ' ' PHE . 2.3 tt -140.74 132.13 13.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.1 Cg_endo -69.77 131.69 21.75 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 86.7 t80 -36.19 -60.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.72 -41.28 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -74.19 -52.05 13.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.3 -15.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 52.2 mt-30 -79.99 -49.96 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.28 -24.98 60.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 64' ' ' PRO . 2.7 mmp_? -72.91 164.0 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 91.2 m -125.1 144.76 50.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.587 ' HB3' HG13 ' A' ' 122' ' ' VAL . 22.8 tp -95.84 120.02 35.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.628 HD13 ' N ' ' A' ' 103' ' ' LEU . 1.3 tm? -130.72 118.42 20.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.628 ' N ' HD13 ' A' ' 102' ' ' LEU . 4.9 mp -106.17 149.28 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -132.41 120.21 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.591 ' CG2' HD21 ' A' ' 139' ' ' LEU . 54.5 t -94.53 108.35 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 47.9 t -119.77 145.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -106.11 93.53 4.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.456 ' HB2' ' CD2' ' A' ' 57' ' ' TYR . 7.9 t80 -43.8 167.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 113' ' ' ARG . 0.3 OUTLIER -148.61 176.13 10.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.557 ' HD3' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -108.59 -16.24 14.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 110' ' ' LYS . 93.8 m-85 -102.78 50.01 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.81 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 111' ' ' PHE . 40.6 m 34.18 45.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.2 mmp_? -99.13 179.84 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.46 151.62 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 37.7 t -171.42 112.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.8 t -102.38 102.34 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 98.1 mt -56.8 -52.5 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.13 -169.18 38.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.411 ' HD3' ' CB ' ' A' ' 142' ' ' SER . 2.2 ptmt -147.14 177.69 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 87.1 t -147.66 116.53 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.496 ' HB3' HD23 ' A' ' 102' ' ' LEU . 54.5 p -106.33 150.23 26.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.587 HG13 ' HB3' ' A' ' 101' ' ' LEU . 2.1 p -162.63 120.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.33 1.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 129' ' ' LEU . 85.0 mt -57.31 -20.36 28.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 16.8 p -60.27 -29.04 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -102.35 -10.55 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 128' ' ' ASP . 59.5 t -83.07 154.14 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG12 ' A' ' 127' ' ' VAL . 4.4 m-20 -93.85 72.58 4.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.683 HD21 HD22 ' A' ' 124' ' ' LEU . 18.7 mt -55.48 -63.28 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.02 -57.2 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -68.46 -74.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 160.79 135.84 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -109.09 127.45 8.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -154.08 106.42 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.316 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.472 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 45.6 p90 -152.7 179.55 8.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.551 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.0 m95 -117.94 125.55 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 18.1 mttt -123.16 159.31 28.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.05 128.01 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.052 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.591 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.3 mp -58.28 137.35 57.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.434 HG22 ' CE2' ' A' ' 10' ' ' TYR . 7.5 pt -105.42 151.9 39.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 119' ' ' LYS . 27.0 t -46.68 167.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 117.58 173.96 16.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 95.2 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.368 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -50.92 94.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.2 p -79.97 126.85 31.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -158.43 153.01 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -161.19 153.06 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.68 125.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -140.99 121.45 14.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -125.91 123.48 38.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 152.39 6.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 p -114.55 39.22 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HE2' ' CE1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -157.78 150.41 22.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CE1' ' HE2' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -86.34 -58.6 2.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 56.54 37.57 28.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.523 HD12 ' HD3' ' A' ' 141' ' ' PRO . 13.5 mt -72.82 -24.01 60.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.6 -164.48 25.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -141.82 153.15 44.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -136.19 138.02 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 13.2 t-160 -97.99 134.87 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -157.46 159.31 37.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.9 p -139.3 129.73 25.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.564 ' HB ' HD22 ' A' ' 101' ' ' LEU . 10.2 t -114.41 121.83 44.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -143.9 131.43 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 20.0 t80 -98.75 144.59 27.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 7.3 t0 -108.69 128.38 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.42 -26.73 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.9 tt -60.01 -47.88 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 35.8 m-70 -108.67 5.33 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 10.0 p30 45.86 52.57 9.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -132.87 161.99 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.83 109.11 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.505 HG21 ' HE ' ' A' ' 86' ' ' ARG . 26.3 m -94.53 114.99 27.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -114.46 102.94 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -84.23 108.17 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 32' ' ' VAL . 33.1 m -72.27 117.66 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.584 HG22 ' N ' ' A' ' 34' ' ' GLU . 14.8 mt -98.77 168.13 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.604 ' CB ' HG22 ' A' ' 82' ' ' VAL . 11.2 pt-20 -68.18 179.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.35 -179.02 6.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -163.02 177.48 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.55 49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -105.85 131.48 21.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HG2' HD12 ' A' ' 117' ' ' ILE . 53.6 Cg_endo -69.72 123.82 10.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.325 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.767 ' HG2' HD11 ' A' ' 42' ' ' ILE . 54.1 Cg_endo -69.73 166.7 26.69 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 89.69 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.767 HD11 ' HG2' ' A' ' 40' ' ' PRO . 7.5 mt -117.09 139.96 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 21.72 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.452 ' H ' HG22 ' A' ' 42' ' ' ILE . 37.4 t60 -160.29 168.94 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.28 89.76 6.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 47' ' ' SER . . . 133.07 -96.01 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.522 ' O ' HG21 ' A' ' 42' ' ' ILE . 50.4 p -34.71 131.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 17.9 ttp-105 -114.84 134.26 55.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -66.71 150.85 48.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.98 -51.97 5.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.429 ' CG ' ' O ' ' A' ' 51' ' ' MET . 6.5 ptp -96.6 82.25 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -158.13 122.73 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -91.08 -178.25 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.446 ' C ' ' HD3' ' A' ' 56' ' ' PRO . 5.1 t -159.24 110.5 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -108.21 70.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.8 154.16 67.9 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 17.9 p90 -144.2 147.35 33.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 105' ' ' VAL . 92.4 t -98.54 131.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -105.57 157.76 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.75 136.22 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.12 134.38 11.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.44 93.11 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.6 mm? -69.28 154.78 94.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo -69.76 -24.54 8.51 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.359 -0.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -47.04 133.0 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -125.51 -9.14 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -60.74 -68.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -75.28 85.78 2.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 p -117.23 124.69 49.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 8.6 tppt? -106.9 145.77 31.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 2.3 mp0 -125.96 172.81 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.0 p -103.69 171.13 7.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.15 162.15 54.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.08 125.38 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 9.6 mptt -93.23 162.97 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' LYS . 13.9 mmt85 -87.87 165.5 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.8 tttt -30.85 111.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 76' ' ' ARG . 9.2 t -175.01 133.07 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -71.97 -43.42 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.4 mtpt -103.37 94.75 6.14 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 54.0 Cg_endo -69.77 140.89 43.76 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.604 HG22 ' CB ' ' A' ' 34' ' ' GLU . 98.4 t -133.8 106.48 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.551 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.7 m-85 -98.93 -58.61 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 56.2 47.34 19.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -105.31 160.21 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 29' ' ' THR . 18.0 ttt180 -116.28 143.61 45.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -142.72 160.52 40.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -130.19 162.34 29.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 88' ' ' THR . 37.2 m-85 -149.7 112.08 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.59 94.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -150.38 138.61 12.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 111.153 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' HD2' ' CG1' ' A' ' 91' ' ' ILE . 53.8 Cg_endo -69.77 140.74 43.38 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -49.38 -46.57 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 mt -48.96 -38.46 23.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -78.95 -41.79 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.73 -40.3 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -63.93 -45.47 89.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -69.06 -14.45 63.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -98.58 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.601 HG23 ' O ' ' A' ' 122' ' ' VAL . 62.7 m -128.05 143.21 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 19' ' ' THR . 9.1 tp -89.78 102.58 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 119' ' ' LYS . 2.0 tt -116.24 121.78 43.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.33 124.09 51.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.8 m -107.94 116.54 32.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 58' ' ' VAL . 48.2 t -91.6 103.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.6 t -109.39 154.06 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -123.07 122.41 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -85.83 54.03 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -108.95 -67.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HE2' ' C ' ' A' ' 110' ' ' LYS . 0.1 OUTLIER -50.11 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 110' ' ' LYS . 3.1 m-85 45.76 25.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m 54.17 44.75 28.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -101.2 -176.84 3.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -78.75 50.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.0 t -71.46 70.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 1.9 p -68.45 127.14 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.496 ' O ' HD22 ' A' ' 12' ' ' LEU . 7.5 mm -76.4 -43.24 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.16 178.06 48.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.707 ' HB2' HD21 ' A' ' 102' ' ' LEU . 19.7 pttm -135.06 145.68 48.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 41.8 t -132.75 102.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 54.7 p -102.67 147.88 26.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 100' ' ' THR . 2.4 p -148.38 121.97 4.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 116.15 4.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.361 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.72 -0.23 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.2 p -66.87 -18.71 65.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -118.66 -21.06 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.31 144.48 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 65.32 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.2 mt -45.03 -54.17 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.6 t -42.48 -58.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -68.05 -71.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.76 152.11 6.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -120.05 136.0 11.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.496 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 7.8 t-160 -161.2 105.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.487 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 40.5 p90 -153.13 179.39 8.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 6.4 m95 -122.58 132.64 54.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.402 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 18.4 mttt -129.93 165.77 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.43 129.35 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.44 143.27 56.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 20.4 pt -125.54 150.8 69.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.611 0.719 . . . . 0.0 111.16 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.523 ' HD3' HD12 ' A' ' 12' ' ' LEU . 53.5 Cg_endo -69.75 120.47 7.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.238 . . . . 0.0 112.323 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.1 t -73.16 164.68 26.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -122.0 -157.22 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.438 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.8 t -102.77 92.34 4.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.0 p -61.17 -25.36 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -160.65 139.17 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 p -172.11 164.92 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.6 106.41 1.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -130.32 41.78 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -63.31 157.4 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 45.25 1.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 t -149.11 161.87 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -74.93 174.52 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' CZ ' HG22 ' A' ' 140' ' ' ILE . 1.9 p90 -110.73 107.05 16.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.444 ' H ' ' NE2' ' A' ' 11' ' ' GLN . 1.1 pm0 -88.97 39.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.43 -50.19 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.63 28.59 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 40.9 mtp -133.9 154.48 51.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 35' ' ' ALA . 21.8 tp -130.23 139.3 50.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.9 t-160 -99.07 132.34 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -159.3 146.99 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -130.66 125.38 33.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 19' ' ' THR . 15.2 t -107.75 124.12 49.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -142.87 117.7 9.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.57 129.14 36.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 137.93 36.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.56 -54.8 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -38.79 -38.67 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 98.6 m-70 -98.15 -29.76 13.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 71.99 41.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -135.94 175.86 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -104.45 111.2 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -92.99 99.96 12.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.7 t -105.36 108.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -95.46 106.59 18.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.73 108.34 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 34' ' ' GLU . 21.8 mt -88.15 166.01 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.597 ' N ' HG22 ' A' ' 33' ' ' ILE . 10.9 pt-20 -68.08 173.33 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.701 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -143.57 -179.86 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -161.73 -179.92 7.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.7 31.2 16.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD22 HG21 ' A' ' 117' ' ' ILE . 75.5 mt -100.45 139.1 20.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.34 50.44 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.17 22.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 80.88 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 79.8 mt -145.06 140.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 m -129.75 -60.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.786 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 45' ' ' ASP . 10.4 p80 -101.66 -47.03 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' CG ' ' A' ' 44' ' ' HIS . 1.6 m-20 -40.99 -37.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . 34.86 57.41 0.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.6 t -172.13 160.91 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -53.28 91.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.84 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -75.68 119.34 19.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -76.98 147.78 36.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.3 mmt 50.91 43.46 28.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.8 106.2 15.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.497 ' HD1' ' ND2' ' A' ' 55' ' ' ASN . 3.8 p80 -87.74 137.52 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.474 ' CB ' ' HD3' ' A' ' 56' ' ' PRO . 18.1 m -87.63 -48.11 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.497 ' ND2' ' HD1' ' A' ' 53' ' ' HIS . 10.7 p30 36.52 51.68 1.87 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 54.1 Cg_endo -69.75 -172.73 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -172.42 158.17 4.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.623 HG23 ' CZ ' ' A' ' 83' ' ' PHE . 75.3 t -112.69 150.57 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -118.41 157.41 27.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -131.96 136.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.2 p -156.31 134.81 11.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.39 121.03 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' ' 64' ' ' PRO . 3.9 mm? -102.36 156.01 35.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.543 ' O ' HD13 ' A' ' 63' ' ' LEU . 53.9 Cg_endo -69.76 -49.45 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.631 -1.82 . . . . 0.0 112.377 -0.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -67.48 102.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -110.88 64.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -74.77 -67.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -77.88 84.17 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.5 p -95.07 141.72 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -121.15 161.94 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -147.64 172.13 14.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 p -105.13 164.78 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.26 54.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.0 t -88.94 132.62 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -103.09 165.05 11.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 76' ' ' ARG . 1.0 OUTLIER -76.21 165.39 24.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -33.19 124.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -175.11 156.51 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -95.9 -26.09 15.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -114.39 106.64 52.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.727 . . . . 0.0 110.833 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.79 109.11 2.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.2 119.03 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.623 ' CZ ' HG23 ' A' ' 58' ' ' VAL . 15.5 m-85 -112.61 -64.13 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 55.82 41.48 30.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -109.39 153.51 23.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -110.42 133.28 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -127.02 152.5 47.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -128.65 147.8 50.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.636 ' O ' HG22 ' A' ' 91' ' ' ILE . 71.0 m-85 -139.38 117.59 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.98 84.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.636 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.5 tt -138.16 131.51 16.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.03 46.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.367 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 94' ' ' LEU . 57.9 t80 -42.48 -63.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 93' ' ' PHE . 58.6 mt -34.6 -59.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -61.58 -44.84 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.598 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -45.84 -50.18 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.22 -39.1 74.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -69.18 -32.03 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -78.42 155.05 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.6 m -118.43 124.39 47.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.642 ' HG ' HD11 ' A' ' 103' ' ' LEU . 20.7 tp -62.7 104.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -110.95 129.66 55.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.774 ' N ' HD13 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -133.88 107.24 7.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 46.7 m -95.21 123.89 38.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.529 HG21 HD21 ' A' ' 139' ' ' LEU . 94.0 t -95.38 106.61 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 24.2 t -110.94 132.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -94.41 106.44 18.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -55.42 145.26 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.27 141.42 32.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 110' ' ' LYS . 2.2 pptp? -94.48 30.42 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -120.89 44.4 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p 40.9 42.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -147.76 162.81 38.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 17.5 p80 -129.4 107.23 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 28.8 m -94.57 96.23 9.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 116' ' ' VAL . 7.2 p -76.24 114.21 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.574 HG21 HD22 ' A' ' 38' ' ' LEU . 40.2 mm -67.27 -42.66 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.12 -161.56 34.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -162.19 169.8 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.834 ' O ' HD22 ' A' ' 102' ' ' LEU . 85.4 t -137.7 149.61 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.434 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 37.4 p -138.19 116.9 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.733 HG22 ' HE3' ' A' ' 137' ' ' LYS . 73.9 t -132.01 125.07 19.94 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.606 0.717 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 126.37 13.28 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.741 ' HB3' HD21 ' A' ' 129' ' ' LEU . 17.0 mt -93.95 29.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.9 t -102.16 -46.98 4.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -76.89 -50.07 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.579 HG21 ' CH2' ' A' ' 135' ' ' TRP . 7.8 p -60.37 155.3 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -89.5 112.88 24.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.741 HD21 ' HB3' ' A' ' 124' ' ' LEU . 14.9 mt -85.52 -48.34 9.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 85.4 t -42.59 -46.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -59.98 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 152.82 160.93 9.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.21 127.23 4.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.436 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 8.1 t-160 -148.96 110.15 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.579 ' CH2' HG21 ' A' ' 127' ' ' VAL . 31.8 p90 -152.85 178.68 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.572 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 18.3 m95 -124.27 131.91 53.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.733 ' HE3' HG22 ' A' ' 122' ' ' VAL . 19.9 mttm -129.33 172.75 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.02 130.89 55.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 105' ' ' VAL . 5.7 mp -61.74 143.23 56.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.537 HG22 ' CZ ' ' A' ' 10' ' ' TYR . 8.0 pt -114.92 151.57 45.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.655 0.741 . . . . 0.0 111.149 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 111.2 2.74 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.8 t -67.63 -50.75 56.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.02 144.71 18.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 126.96 13.97 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.1 m -62.4 -57.49 11.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.8 m 57.74 42.31 23.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -113.91 136.26 53.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -106.28 85.5 2.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.16 136.62 6.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -86.84 150.62 24.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -96.4 85.26 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.36 -138.98 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -52.4 108.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.948 0.404 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 10.6 tppt? -40.56 142.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 9' ' ' LYS . 1.3 m-85 -43.25 120.53 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -83.55 43.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -84.58 -30.6 24.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.61 -159.84 14.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mtp -141.83 155.2 45.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 tp -131.03 135.48 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 8.1 t-160 -97.88 134.43 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 4.1 p90 -159.1 152.3 22.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 p -129.56 129.11 44.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 19' ' ' THR . 6.4 t -112.33 114.58 27.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -139.24 121.18 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 22' ' ' ASP . 12.3 t80 -91.34 146.17 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.0 t70 -112.75 117.11 31.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD11 HG22 ' A' ' 130' ' ' VAL . 9.0 mp -71.88 -45.83 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -48.93 -52.09 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 80.8 m-70 -89.54 -10.48 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 55.26 50.33 15.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -139.36 170.7 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' HG ' HG23 ' A' ' 30' ' ' VAL . 57.6 tp -105.41 107.22 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 m -84.79 99.96 11.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' HG ' ' A' ' 28' ' ' LEU . 93.9 t -106.75 104.02 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -97.16 106.76 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG11 HG21 ' A' ' 72' ' ' THR . 85.9 t -70.62 102.84 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.613 HG22 ' N ' ' A' ' 34' ' ' GLU . 46.9 mt -76.89 165.4 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.613 ' N ' HG22 ' A' ' 33' ' ' ILE . 11.9 pt-20 -64.57 173.02 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -145.77 175.66 10.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -162.33 179.72 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 62.75 36.24 13.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.2 mt -96.75 138.33 21.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.705 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 142.32 47.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.372 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 166.32 27.93 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 84.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.33 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -148.53 131.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.0 p -80.42 -59.98 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -123.7 169.84 11.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' SER . 3.4 t70 64.34 34.38 10.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -36.06 95.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 1.6 t -141.0 143.31 34.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -73.36 123.48 23.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -144.8 131.39 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.24 -42.61 52.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.76 76.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -170.77 119.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -161.04 144.44 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -147.28 -176.6 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.64 81.08 17.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 146.94 61.53 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CE1' HG13 ' A' ' 106' ' ' VAL . 44.9 p90 -148.36 142.42 25.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.481 HG23 ' CE2' ' A' ' 83' ' ' PHE . 52.0 t -92.86 129.78 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.108 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -99.94 153.31 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.49 154.19 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.53 156.02 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.2 mt -117.89 101.75 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.0 mt -72.21 156.92 90.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.1 Cg_endo -69.79 -29.68 5.58 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.305 -0.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -46.1 91.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.3 pt20 -97.87 28.9 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -94.03 -62.67 1.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.34 100.42 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.2 p -126.11 140.82 52.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' NZ ' ' CE1' ' A' ' 89' ' ' PHE . 9.7 mttp -119.04 172.96 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -148.9 144.46 26.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.471 HG21 HG11 ' A' ' 32' ' ' VAL . 25.7 p -75.66 155.66 35.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -38.95 153.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.5 t -80.89 137.24 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 111.122 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HB3' HG22 ' A' ' 78' ' ' THR . 19.1 mmtm -84.4 169.5 14.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' LYS . 9.9 mmt85 -136.18 118.49 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.0 mttm 33.25 54.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.696 HG22 ' HB3' ' A' ' 75' ' ' LYS . 2.6 t -136.76 133.32 35.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -86.63 -19.98 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 2.9 pttp -113.11 97.92 44.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.529 0.681 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.78 96.38 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 34' ' ' GLU . 93.3 t -103.44 81.92 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' CE2' HG23 ' A' ' 58' ' ' VAL . 8.1 m-85 -72.75 -61.18 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 61.52 34.13 18.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -106.15 155.04 19.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -109.1 142.25 40.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.75 155.61 43.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.5 145.35 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' CE1' ' NZ ' ' A' ' 70' ' ' LYS . 81.2 m-85 -136.5 126.17 25.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.15 86.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 99' ' ' ARG . 1.6 tt -142.0 131.23 12.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.8 Cg_endo -69.73 131.68 21.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' PRO . 71.8 t80 -35.2 -51.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 mp -38.61 -53.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.9 tp10 -66.36 -51.44 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.33 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -48.99 -53.38 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.2 -21.85 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.44 ' HG3' ' CD1' ' A' ' 91' ' ' ILE . 20.4 mmt85 -78.29 146.22 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 122' ' ' VAL . 93.3 m -119.34 147.39 44.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.493 HD23 ' CG1' ' A' ' 122' ' ' VAL . 5.9 tp -96.02 109.38 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 120' ' ' VAL . 58.5 tp -117.22 117.56 29.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.57 152.79 25.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.5 m -134.83 147.73 50.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.673 ' CG2' HD21 ' A' ' 139' ' ' LEU . 19.6 t -124.6 121.41 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 57' ' ' TYR . 5.4 p -137.05 137.47 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.78 91.86 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -40.74 110.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -116.28 132.45 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -76.06 49.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 112' ' ' SER . 25.1 m-85 -122.41 38.18 4.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 111' ' ' PHE . 60.5 m 35.93 44.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.809 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -160.56 163.74 32.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -119.5 118.39 30.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.85 63.17 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.4 p -46.55 131.92 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.84 -47.26 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.82 -170.16 38.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -153.34 165.61 35.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 102' ' ' LEU . 44.2 t -139.5 130.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.0 p -115.53 148.26 39.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.493 ' CG1' HD23 ' A' ' 101' ' ' LEU . 4.2 p -161.63 117.56 1.32 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.07 15.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.584 HD22 HD21 ' A' ' 129' ' ' LEU . 12.3 mt -91.71 26.48 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 28.6 p -99.02 -38.59 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -84.7 -51.87 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.599 HG21 ' CH2' ' A' ' 135' ' ' TRP . 14.8 p -59.74 155.37 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' HG22 ' A' ' 127' ' ' VAL . 81.8 m-20 -91.63 112.18 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.584 HD21 HD22 ' A' ' 124' ' ' LEU . 19.7 mt -82.23 -52.75 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.666 HG22 HD11 ' A' ' 23' ' ' LEU . 90.7 t -37.8 -54.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -68.08 -54.19 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 140.36 154.89 6.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -126.24 137.38 10.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.498 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.6 t-160 -161.17 105.67 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.599 ' CH2' HG21 ' A' ' 127' ' ' VAL . 35.5 p90 -152.81 177.81 10.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 12.2 m95 -119.05 132.84 56.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.413 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 34.7 mttt -128.35 161.48 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.73 126.15 49.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.673 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.0 mp -54.27 152.88 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.1 pt -125.45 150.53 68.01 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 93.6 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t -54.58 155.58 4.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -107.85 143.6 16.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.6 p -87.02 2.2 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -107.39 112.35 25.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t 47.19 51.33 13.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -73.13 -16.38 61.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.72 171.92 48.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -163.61 136.25 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -160.36 134.5 7.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.02 47.7 3.56 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -133.63 161.77 33.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.954 0.407 . . . . 0.0 110.834 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 18.8 tptp -122.76 160.86 25.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.19 133.54 55.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -115.43 78.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 mt -110.87 14.71 22.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.59 -169.07 35.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.49 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.516 ' HA ' HD12 ' A' ' 139' ' ' LEU . 24.6 mtp -133.82 166.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 16' ' ' HIS . 4.9 tp -143.08 137.68 29.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' N ' HD12 ' A' ' 15' ' ' LEU . 3.3 t-160 -100.15 132.74 45.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -158.08 169.26 24.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 133' ' ' GLY . 2.1 p -152.05 123.6 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 133' ' ' GLY . 9.0 t -107.7 125.1 50.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.167 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 155.3 44.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -119.25 134.43 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.74 115.16 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 26' ' ' ASN . 95.6 mt -70.71 -58.72 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' LEU . 13.6 tp -37.4 -32.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.637 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 87.0 m-70 -104.95 -24.11 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' LEU . 10.3 m-80 67.91 40.41 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.637 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 2.1 p-80 -136.08 160.69 37.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.1 tp -92.47 111.53 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.6 m -94.81 100.17 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 t -95.49 105.72 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' NH1' ' C ' ' A' ' 84' ' ' GLU . 8.4 tpp180 -84.47 126.05 32.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 HD11 ' A' ' 60' ' ' ILE . 21.3 t -101.04 113.11 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.609 HG22 ' N ' ' A' ' 34' ' ' GLU . 50.1 mt -98.08 164.24 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.609 ' N ' HG22 ' A' ' 33' ' ' ILE . 4.8 pt-20 -61.4 -178.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.91 -179.92 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -162.53 168.67 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.06 27.88 16.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.478 HD22 HG21 ' A' ' 117' ' ' ILE . 25.0 mt -82.75 129.25 62.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.723 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.26 68.07 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.73 60.92 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.8 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 43' ' ' SER . 23.4 mm -144.91 155.7 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 m -114.6 -41.14 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.11 -177.27 3.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.816 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -39.62 -67.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.55 118.61 2.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.6 m -96.03 85.73 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 55.71 42.12 29.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -120.09 57.41 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -50.38 -30.65 12.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.9 ptp -167.48 122.07 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 53' ' ' HIS . . . -89.06 20.59 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.489 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 m80 31.3 54.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -78.85 178.99 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.481 HD22 HG21 ' A' ' 74' ' ' VAL . 2.0 p-10 -108.72 82.12 1.65 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.655 0.74 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 170.87 15.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 13.2 p90 -165.01 151.43 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 105' ' ' VAL . 53.1 t -99.1 153.2 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -125.87 156.96 38.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 32' ' ' VAL . 4.0 mt -134.55 158.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' N ' HG22 ' A' ' 60' ' ' ILE . 1.5 t -174.82 151.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.4 mt -115.4 97.4 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 82.6 mt -65.75 154.02 89.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.4 Cg_endo -69.72 -30.28 5.21 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.374 -0.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -41.58 109.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 67' ' ' LYS . 49.3 mt-30 -106.22 -41.1 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' GLN . 5.4 ttpm? -35.95 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -70.17 103.27 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 86.3 p -129.04 144.04 51.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 14.1 tppt? -101.74 151.9 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -145.4 159.97 42.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.621 HG22 ' OH ' ' A' ' 87' ' ' TYR . 58.3 p -113.76 136.12 53.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.06 151.33 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.481 HG21 HD22 ' A' ' 55' ' ' ASN . 4.2 m -81.06 137.79 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 3.7 mptt -84.89 165.21 17.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 78' ' ' THR . 31.4 mmt180 -76.22 165.64 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' ARG . 2.4 ptpp? -32.57 111.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 76' ' ' ARG . 14.9 t -170.99 162.59 7.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -94.69 -26.7 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 14.6 pttp -123.95 100.9 36.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 53.9 Cg_endo -69.76 118.7 5.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.622 2.215 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -100.82 105.43 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' O ' ' CD ' ' A' ' 85' ' ' GLU . 40.0 m-85 -91.12 -62.63 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' C ' ' NH1' ' A' ' 31' ' ' ARG . 22.5 mt-10 54.22 39.38 30.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 83' ' ' PHE . 8.1 mp0 -115.26 148.22 39.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.32 147.06 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.621 ' OH ' HG22 ' A' ' 72' ' ' THR . 98.9 m-85 -134.86 156.43 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.43 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.6 p -128.53 159.83 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' A' ' 88' ' ' THR . 44.7 m-85 -148.49 124.49 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -71.68 80.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 tt -141.59 134.1 13.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 146.71 61.13 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 96' ' ' ALA . 14.9 t80 -50.68 -63.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' PHE . 66.5 mt -34.52 -43.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -73.26 -43.95 60.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -47.68 -45.64 28.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.47 -44.65 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.21 -21.31 63.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -92.1 152.37 19.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.9 m -116.52 147.13 42.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' HG ' HD11 ' A' ' 103' ' ' LEU . 47.3 tp -90.65 116.08 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.84 109.52 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.411 HD11 ' HG ' ' A' ' 101' ' ' LEU . 2.6 mp -105.34 133.77 49.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.7 m -125.91 134.96 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 58' ' ' VAL . 32.2 t -108.1 107.04 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 2.8 t -111.82 147.19 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.88 135.68 37.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.3 t80 -112.42 115.78 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.54 177.99 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -37.76 -45.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 113' ' ' ARG . 9.4 m-85 -79.75 46.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.1 t -45.05 94.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 111' ' ' PHE . 70.3 mtt-85 -133.87 -176.2 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.5 p80 -104.01 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 116' ' ' VAL . 54.4 m -85.57 39.62 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' CYS . 1.6 m -37.8 129.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.478 HG21 HD22 ' A' ' 38' ' ' LEU . 26.0 mm -59.71 -42.92 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 174.18 -174.06 46.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.595 ' HE3' HD11 ' A' ' 140' ' ' ILE . 42.7 pttt -145.77 156.26 43.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 37.5 t -136.93 114.11 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.0 p -99.87 148.98 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 122' ' ' VAL . 13.4 p -161.56 120.78 1.47 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.594 ' HB3' HD11 ' A' ' 129' ' ' LEU . 16.0 mt -85.07 22.76 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.3 t -100.47 -9.88 21.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -111.19 -37.23 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.696 HG21 ' CH2' ' A' ' 135' ' ' TRP . 12.6 p -80.49 117.99 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.07 82.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 124' ' ' LEU . 16.0 mt -50.26 -45.52 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.6 t -37.69 -57.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -70.41 -74.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.33 6.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -120.03 137.78 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.414 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 14.1 t-160 -163.02 105.64 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.696 ' CH2' HG21 ' A' ' 127' ' ' VAL . 38.0 p90 -152.92 179.43 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 20.3 m95 -117.35 133.16 56.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -131.06 163.18 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -103.29 121.46 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.6 mp -54.37 154.22 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.595 HD11 ' HE3' ' A' ' 119' ' ' LYS . 4.5 pt -128.18 153.93 78.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.637 0.732 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 108.49 2.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.314 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -68.88 156.28 38.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -94.61 -155.11 31.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 123.43 10.1 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 90.8 p -109.82 123.86 50.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 66.4 m -109.16 87.74 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -123.27 159.38 28.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 m -135.71 164.21 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.76 -132.66 2.62 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -62.6 -39.76 94.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 m 46.36 50.11 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.69 -158.66 12.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -92.27 -61.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.392 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -162.7 149.37 12.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 153.82 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -116.77 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -132.43 -44.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 138.59 -153.51 22.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.564 ' HA ' HD12 ' A' ' 139' ' ' LEU . 38.4 mtp -146.16 148.17 32.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 35' ' ' ALA . 7.0 tp -128.58 131.15 48.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.546 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -87.18 128.1 35.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -156.25 156.58 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 10.2 p -142.76 146.24 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -121.58 128.83 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -143.34 117.5 9.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.419 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 17.5 t80 -89.1 123.49 33.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -87.21 116.24 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.5 mt -73.2 -42.76 62.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.35 -51.41 54.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 99.2 m-70 -93.1 -3.75 53.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 49.74 53.29 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.8 p-80 -137.88 179.28 6.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.8 tp -111.89 109.86 19.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -90.46 102.99 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -107.39 105.41 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -99.07 120.92 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 72' ' ' THR . 92.1 t -82.25 107.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.604 HG22 ' N ' ' A' ' 34' ' ' GLU . 17.8 mt -83.69 167.6 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.604 ' N ' HG22 ' A' ' 33' ' ' ILE . 13.9 pt-20 -59.15 -178.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.53 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -157.8 177.27 11.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -166.5 173.04 10.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.68 37.14 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 117' ' ' ILE . 42.9 mt -99.68 136.67 20.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.89 66.25 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.98 17.64 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.427 ' C ' HG13 ' A' ' 42' ' ' ILE . 53.8 Cg_endo -69.76 99.17 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.573 HD11 HE22 ' A' ' 49' ' ' GLN . 97.7 mt -151.83 140.02 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -65.8 -48.74 70.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -145.69 143.49 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -38.87 110.67 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.55 -118.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.5 t -104.17 150.73 24.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -79.97 95.1 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.573 HE22 HD11 ' A' ' 42' ' ' ILE . 2.0 pm0 -72.16 -178.6 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.71 167.85 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 38.19 43.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.7 99.51 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.519 ' CG ' ' HB2' ' A' ' 77' ' ' LYS . 3.0 p-80 -127.17 172.5 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.8 p -163.37 -176.42 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.4 m120 -110.96 80.27 2.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -166.96 146.38 5.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.947 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 105' ' ' VAL . 58.6 t -101.61 145.0 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -112.86 158.6 19.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -131.41 141.87 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 12.5 p -157.97 135.21 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.8 mt -104.1 104.82 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 4.1 mm? -68.6 157.37 88.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.947 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo -69.74 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.341 -0.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.21 108.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 67' ' ' LYS . 55.4 mt-30 -103.78 -54.44 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 66' ' ' GLN . 31.8 mtmt -35.73 -54.65 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.54 93.39 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.1 p -125.54 141.24 52.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -102.57 171.68 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -147.03 149.41 33.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.561 HG21 HG21 ' A' ' 32' ' ' VAL . 3.8 p -96.86 159.49 14.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -46.68 164.55 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 87.3 t -90.42 149.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.579 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -96.05 169.4 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' LYS . 30.9 mmt180 -124.93 105.12 8.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.519 ' HB2' ' CG ' ' A' ' 53' ' ' HIS . 5.3 ptpt 31.28 55.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.435 ' CG2' ' HB3' ' A' ' 75' ' ' LYS . 1.9 t -129.83 112.43 13.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.17 -31.83 67.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -105.68 92.77 6.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.9 5.96 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.724 2.283 . . . . 0.0 112.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 82' ' ' VAL . 2.7 p -123.29 88.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.579 ' CD2' ' HE2' ' A' ' 75' ' ' LYS . 2.1 m-85 -77.3 -39.24 48.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 42.48 35.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 8.5 tp10 -105.02 158.5 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 35.3 ptt180 -119.05 152.83 35.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -139.48 157.91 45.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 8.9 p -125.09 151.36 45.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' O ' HG22 ' A' ' 91' ' ' ILE . 34.7 m-85 -146.75 113.96 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.94 85.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.622 HG22 ' O ' ' A' ' 89' ' ' PHE . 3.6 tt -137.92 129.9 16.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.74 133.52 25.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 37.4 t80 -34.61 -59.06 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' PHE . 67.5 mt -35.91 -47.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -70.43 -53.33 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' NE2' ' CD2' ' A' ' 93' ' ' PHE . 48.6 mt-30 -49.89 -42.61 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -70.62 -36.91 73.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -63.37 157.98 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.1 m -127.61 114.26 17.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HB2' HD21 ' A' ' 124' ' ' LEU . 45.2 tp -58.32 97.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -111.48 110.19 20.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.501 ' N ' HD13 ' A' ' 102' ' ' LEU . 3.7 mp -103.92 144.01 32.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 m -130.86 109.12 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 58' ' ' VAL . 59.3 t -88.28 109.27 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -113.65 141.07 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -103.23 113.43 26.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -84.93 103.34 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.4 168.38 10.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.51 163.0 28.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 73.23 51.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.8 m 38.91 33.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -92.35 142.14 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -135.71 125.95 26.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 38.5 m -134.03 132.43 40.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.67 125.19 43.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.738 HG21 HD22 ' A' ' 38' ' ' LEU . 32.1 mm -82.01 -34.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.81 -178.49 35.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -147.78 156.53 42.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.1 t -128.64 141.33 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -127.61 120.16 27.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.719 HG22 ' HE3' ' A' ' 137' ' ' LYS . 48.4 t -137.33 123.46 13.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.76 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.598 ' HB3' HD21 ' A' ' 129' ' ' LEU . 6.9 mt -95.08 29.95 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.14 -51.17 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -82.33 -42.1 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.4 t -47.29 148.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.097 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -90.43 82.92 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 124' ' ' LEU . 12.0 mt -60.28 -47.64 85.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 129' ' ' LEU . 92.6 t -34.03 -51.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -87.97 -72.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.28 177.02 44.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.54 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -144.87 66.55 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 3.1 m80 -86.81 110.64 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ2' HG11 ' A' ' 122' ' ' VAL . 10.5 p90 -153.13 179.72 8.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.6 m95 -128.22 120.8 27.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.719 ' HE3' HG22 ' A' ' 122' ' ' VAL . 20.8 mttm -120.32 159.18 25.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -93.66 150.18 20.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.4 mp -86.56 144.07 27.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 9.7 pt -115.08 152.4 46.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t -68.46 147.46 52.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.805 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -81.74 147.47 26.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.409 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 94.0 p -107.12 140.69 39.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 97.0 p -46.74 162.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -62.48 162.27 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -103.63 -47.88 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.14 -167.46 25.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -165.86 136.03 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.838 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -156.27 120.03 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.46 -81.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -45.52 162.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.932 0.396 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -68.21 142.76 55.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 8.1 m-85 -36.89 -55.28 0.91 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 60.89 41.12 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 mt -95.22 -37.09 11.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.18 -162.0 28.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 mtp -149.58 136.73 19.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 35' ' ' ALA . 10.6 tp -119.91 143.17 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 7.3 t-160 -101.45 132.25 47.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 120' ' ' VAL . 15.4 p90 -158.94 162.96 36.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 99.0 p -147.06 133.87 20.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 t -114.55 119.83 38.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -138.02 117.8 13.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 11.3 t80 -88.08 128.65 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.46 128.48 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.57 -23.13 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.7 -50.86 55.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 41.6 m80 -89.73 -18.92 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 69.09 47.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.5 p-80 -142.16 172.71 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.433 ' CG2' ' HG3' ' A' ' 86' ' ' ARG . 2.1 m -113.28 111.71 22.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.8 102.87 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -88.97 107.65 19.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 HG21 ' A' ' 72' ' ' THR . 8.2 t -72.38 117.04 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 34' ' ' GLU . 51.3 mt -96.78 164.88 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.623 ' N ' HG22 ' A' ' 33' ' ' ILE . 13.0 pt-20 -61.62 174.72 0.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -142.29 -179.6 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -163.99 170.48 16.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.09 53.34 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.1 mt -109.25 140.19 21.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.48 19.41 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.76 33.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 86.3 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 81.2 mt -115.26 138.35 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 t -97.83 158.67 15.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -38.91 137.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 62.03 46.88 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.59 103.92 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.3 m -100.74 -47.24 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -90.19 165.61 13.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -174.26 156.87 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 51' ' ' MET . 15.4 p-10 -126.83 84.13 2.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 50' ' ' ASP . 17.4 mmt 36.06 54.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.23 123.89 26.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -115.84 -179.21 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 40.8 t -163.67 -177.87 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.712 ' HB3' HG22 ' A' ' 74' ' ' VAL . 0.3 OUTLIER -107.49 80.63 0.94 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.651 0.739 . . . . 0.0 110.896 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.81 163.25 39.01 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 1.7 p90 -166.36 133.95 2.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 59' ' ' LYS . 57.8 t -94.66 158.34 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' N ' HG12 ' A' ' 58' ' ' VAL . 20.0 mtpp -126.4 160.89 29.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.4 mt -134.82 134.28 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 t -152.58 144.62 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.0 mt -104.34 95.2 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 13.5 mt -61.52 154.35 65.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.0 Cg_endo -69.72 -34.01 3.2 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.342 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' PRO . 8.4 m-20 -35.03 100.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -95.98 -3.1 45.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -76.42 -69.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.91 85.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -109.25 162.88 13.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -140.16 167.94 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.513 ' H ' ' NE2' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -149.96 135.71 18.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.653 HG21 HG11 ' A' ' 32' ' ' VAL . 53.3 p -61.08 -69.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.77 136.01 1.92 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.712 HG22 ' HB3' ' A' ' 55' ' ' ASN . 10.9 p -72.45 117.69 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.2 169.46 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.509 ' O ' HG22 ' A' ' 78' ' ' THR . 23.6 mmt85 -75.82 165.59 24.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 76' ' ' ARG . 25.8 mtmm -31.85 116.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 76' ' ' ARG . 8.8 t -166.3 147.92 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -89.23 -34.47 16.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -110.69 92.54 14.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.575 0.702 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 107.22 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.39 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.98 127.71 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.403 ' CD2' ' HB ' ' A' ' 72' ' ' THR . 0.3 OUTLIER -117.25 -42.0 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 48.5 45.22 21.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -104.1 168.18 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' HG3' ' CG2' ' A' ' 29' ' ' THR . 25.7 ttp180 -127.29 129.81 48.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -119.83 151.01 39.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 140.93 52.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -132.09 129.2 39.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.81 86.95 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 tt -146.29 132.92 9.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.568 0.699 . . . . 0.0 111.192 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.4 Cg_endo -69.78 130.46 19.36 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 92' ' ' PRO . 17.2 t80 -34.74 -59.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -35.06 -55.09 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -63.2 -45.19 92.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.18 -40.88 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -55.93 -45.29 78.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -80.1 -8.9 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -91.49 146.89 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 122' ' ' VAL . 23.7 m -113.48 139.63 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' A' ' 103' ' ' LEU . 17.8 tp -88.66 103.32 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 102' ' ' LEU . 1.1 tm? -104.32 123.92 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -124.25 109.04 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.4 m -91.27 144.95 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.538 HG21 HD21 ' A' ' 139' ' ' LEU . 48.3 t -119.96 103.34 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 107' ' ' ASP . 6.1 t -104.97 159.29 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.2 m-20 -121.39 94.24 4.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -84.74 132.19 34.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -120.61 -175.9 3.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -78.67 -12.09 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -88.88 20.57 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.1 m 49.8 28.8 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -102.4 144.17 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -141.03 108.46 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 116' ' ' VAL . 11.7 t -118.14 82.67 1.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 116' ' ' VAL . 14.4 p -36.42 122.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.2 mt -78.75 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -171.23 -165.54 28.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -158.11 164.63 36.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 103' ' ' LEU . 54.0 t -135.78 111.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.421 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 4.7 p -108.66 141.09 41.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.436 ' C ' HG23 ' A' ' 100' ' ' THR . 7.3 p -154.21 124.39 3.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.582 0.706 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 127.13 14.19 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.397 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.6 mt -84.86 21.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.55 -54.53 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.91 -46.54 23.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 69.1 t -46.38 151.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -95.69 80.07 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 130' ' ' VAL . 23.6 mt -51.75 -55.21 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 129' ' ' LEU . 14.6 t -35.33 -47.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -86.03 -66.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 159.96 172.63 27.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.595 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -135.87 60.0 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.442 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -83.68 102.76 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.595 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.3 p90 -152.41 178.66 9.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.3 m95 -123.27 129.5 51.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.467 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 33.6 mttt -125.26 165.22 18.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -105.12 132.43 51.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.538 HD21 HG21 ' A' ' 105' ' ' VAL . 4.7 mp -59.54 137.12 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.0 pt -108.73 152.69 42.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 105.19 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.7 t -73.64 137.73 44.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -121.83 -160.05 10.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -0.89 7.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.279 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.3 p -52.56 102.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 80.5 p -86.38 -176.94 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -158.22 157.13 32.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -126.16 156.73 39.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.19 173.0 25.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -141.33 173.01 11.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -105.08 117.67 34.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.81 43.22 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -159.58 170.64 21.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 163.3 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 11' ' ' GLN . 14.6 p90 -89.29 -47.42 8.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 10' ' ' TYR . 2.9 tp60 33.69 40.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 117' ' ' ILE . 21.1 mt -52.94 -56.01 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.96 -165.42 36.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mtp -140.15 157.62 45.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.7 tp -142.62 129.38 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 5.0 t-160 -89.19 130.46 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -155.01 164.96 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.1 p -145.3 129.05 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' THR . 5.2 t -111.5 115.32 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -139.74 133.23 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -99.66 135.47 41.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.38 113.35 26.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.89 -41.44 78.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.32 -40.49 64.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.614 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 36.0 m80 -100.52 -2.37 33.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p30 46.79 44.44 14.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.614 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.4 p-80 -138.03 170.18 16.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 tp -99.2 119.97 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -97.15 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.01 102.66 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -99.96 123.62 44.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.72 109.17 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.624 HG22 ' N ' ' A' ' 34' ' ' GLU . 29.3 mt -86.6 166.91 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.624 ' N ' HG22 ' A' ' 33' ' ' ILE . 6.9 pt-20 -59.24 161.87 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -132.46 -179.83 5.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -166.1 175.9 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 63.85 35.86 10.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 81' ' ' PRO . 90.3 mt -99.65 131.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.0 22.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.51 18.68 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.409 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 79.95 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.428 HG13 ' CD ' ' A' ' 49' ' ' GLN . 19.2 mm -149.03 144.03 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' HIS . 90.6 p -77.93 159.13 29.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' SER . 9.4 t-80 -36.01 -40.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -117.96 121.36 40.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.48 -175.3 22.39 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -121.21 177.8 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -41.32 124.06 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' CD ' HG13 ' A' ' 42' ' ' ILE . 32.2 mt-30 -87.74 116.09 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -117.1 -60.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.3 mmt -107.69 78.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.24 153.46 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -169.24 162.95 10.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 p -164.88 160.4 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 12.7 m-20 -114.75 84.05 9.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.81 48.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.257 . . . . 0.0 112.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.446 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 40.2 p90 -144.8 146.33 32.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 105' ' ' VAL . 70.8 t -99.59 140.6 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -109.12 150.82 27.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mt -131.81 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.8 p -165.54 168.59 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 143.76 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 58.3 mt -120.29 155.33 56.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo -69.7 -46.99 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.383 -0.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 99' ' ' ARG . 20.5 p-10 -63.7 123.33 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' LYS . 9.7 mt-30 -107.62 29.63 7.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 24.3 tptt -37.46 -70.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -82.78 118.71 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 p -116.63 122.55 44.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 2.0 tpmt? -111.72 147.27 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -151.21 156.42 40.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.2 p -103.81 130.15 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.22 154.7 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 74' ' ' VAL . 2.9 m -75.08 128.21 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 34.8 mmtt -81.35 167.07 19.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' LYS . 17.6 mmm-85 -77.4 165.58 24.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -31.6 120.88 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -174.16 153.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.88 -29.04 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -134.67 108.36 10.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.711 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.669 ' HD2' HD12 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 135.81 31.38 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.322 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 34' ' ' GLU . 2.3 p -134.7 93.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -90.36 -45.5 8.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 49.8 42.4 23.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -102.88 160.53 14.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 87' ' ' TYR . 20.2 ttm180 -110.06 151.84 26.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.437 ' N ' ' HG2' ' A' ' 86' ' ' ARG . 76.4 m-85 -142.32 162.02 36.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 p -139.22 145.47 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -134.62 127.67 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.62 81.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.9 tt -140.03 132.1 14.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.7 Cg_endo -69.84 130.87 19.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.314 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.535 ' CE2' ' CD ' ' A' ' 97' ' ' GLN . 73.7 t80 -37.2 -57.72 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -36.33 -55.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.13 -50.26 55.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.517 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -39.32 -48.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.535 ' CD ' ' CE2' ' A' ' 93' ' ' PHE . 39.1 mt-30 -55.17 -42.66 73.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.63 -5.68 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 65' ' ' ASP . 21.3 mmm-85 -101.37 155.7 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.619 HG23 ' C ' ' A' ' 122' ' ' VAL . 96.1 m -119.43 133.47 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 103' ' ' LEU . 11.0 tp -81.08 98.53 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.9 tp -103.17 128.0 50.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 102' ' ' LEU . 2.9 mp -121.47 150.93 40.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.8 m -141.29 131.38 24.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 58' ' ' VAL . 57.8 t -107.52 102.31 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.446 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 4.0 t -102.45 158.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.8 139.09 39.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -111.6 133.09 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.73 -179.13 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.78 132.05 45.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 47.19 39.76 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.9 t -81.65 72.28 8.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -44.22 -68.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -162.29 119.64 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 34.7 t -131.22 81.11 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.23 79.1 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.712 ' O ' HD13 ' A' ' 12' ' ' LEU . 52.0 mt -44.78 -41.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 179.46 -177.89 48.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -151.44 164.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.2 t -145.22 109.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 t -106.5 133.91 50.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.619 ' C ' HG23 ' A' ' 100' ' ' THR . 7.7 p -136.68 123.26 13.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.79 21.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 37.4 mt -95.29 19.22 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 24.4 p -103.2 -5.57 23.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -116.83 -22.12 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.0 p -103.47 140.43 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.6 115.23 22.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 132' ' ' GLY . 11.6 mt -73.6 -55.88 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.5 m -41.46 -37.5 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -73.75 -33.35 64.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 106.06 134.07 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.44 138.95 14.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.526 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -163.85 105.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.475 ' NE1' ' HE2' ' A' ' 137' ' ' LYS . 41.4 p90 -153.22 173.3 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.582 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 10.6 m95 -110.4 138.93 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.475 ' HE2' ' NE1' ' A' ' 135' ' ' TRP . 16.2 mttm -135.2 162.8 31.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -107.12 124.7 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.546 HD21 ' CG2' ' A' ' 105' ' ' VAL . 5.2 mp -56.87 133.98 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 6.1 pt -106.42 151.21 40.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 109.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -71.21 136.75 48.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.33 153.36 46.26 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 142.55 48.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.1 m -126.44 168.35 14.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.8 m -112.54 96.28 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -142.58 168.36 19.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -138.88 167.91 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.74 136.74 5.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 p -82.89 127.94 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -117.92 89.03 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.7 -154.14 6.51 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -98.52 -55.37 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 10.3 tppt? -172.02 158.43 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 25.1 p90 -90.18 102.62 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -95.94 44.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.87 -57.08 13.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.83 -158.34 28.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 66.2 mtp -142.89 148.07 36.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 35' ' ' ALA . 13.6 tp -126.72 136.06 51.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.537 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.3 t-160 -96.26 132.4 41.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -156.91 154.95 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 p -135.1 126.54 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.575 ' HB ' HD22 ' A' ' 101' ' ' LEU . 6.1 t -108.95 119.09 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -137.77 129.44 28.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' O ' ' A' ' 22' ' ' ASP . 19.4 t80 -102.15 133.25 47.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 6.8 t0 -91.03 132.72 35.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 HG12 ' A' ' 130' ' ' VAL . 3.4 mm? -88.84 -28.37 20.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.64 -46.7 81.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -95.65 -13.0 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 60.7 48.77 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.9 p-80 -136.24 177.17 8.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -105.78 116.87 32.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.8 m -100.26 98.45 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.56 106.45 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -97.33 106.35 18.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.562 HG11 HG21 ' A' ' 72' ' ' THR . 65.4 t -73.08 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 34' ' ' GLU . 48.0 mt -116.26 165.57 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.633 ' N ' HG22 ' A' ' 33' ' ' ILE . 9.3 pt-20 -58.46 -178.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.26 -179.41 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 4.1 ptp180 -161.88 167.1 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 t70 66.22 36.87 5.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.668 HD12 ' CD ' ' A' ' 81' ' ' PRO . 90.7 mt -100.79 132.43 22.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 141.29 44.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 53.5 Cg_endo -69.79 168.51 21.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 85.63 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 43' ' ' SER . 29.5 mt -135.82 162.39 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.535 ' N ' HG22 ' A' ' 42' ' ' ILE . 24.5 m -97.65 163.97 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -46.29 -31.9 2.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.07 -64.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.44 132.43 7.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -171.92 -175.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -87.77 146.35 25.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 4.3 pt20 -117.33 56.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -60.47 -45.04 95.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ptm -122.53 64.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -140.15 115.32 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 77' ' ' LYS . 2.2 p-80 -80.37 167.28 20.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -135.27 104.49 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 74' ' ' VAL . 28.7 p30 -114.35 66.01 1.55 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -177.81 2.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 46.9 p90 -171.88 133.04 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 105' ' ' VAL . 42.3 t -94.19 134.77 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' C ' HG13 ' A' ' 60' ' ' ILE . 20.3 mtpp -103.88 163.95 12.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 59' ' ' LYS . 7.4 mt -136.97 137.4 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.89 136.24 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 52.0 mt -88.32 96.28 10.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 2.8 mm? -71.9 156.44 90.97 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.8 Cg_endo -69.74 -42.95 0.67 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.328 -0.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 4.7 p-10 -35.06 118.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 27.8 mp0 -103.42 -1.32 28.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -53.95 -69.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -64.26 93.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.9 p -109.66 127.7 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -128.51 168.35 15.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.96 161.52 41.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.562 HG21 HG11 ' A' ' 32' ' ' VAL . 44.3 p -96.58 -0.74 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.57 173.09 44.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 55' ' ' ASN . 11.3 p -104.42 130.0 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -95.45 164.08 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.6 mpt_? -76.63 165.85 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ARG . 16.8 ttpt -30.26 116.48 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -171.62 145.48 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 79' ' ' GLN . 12.6 mm100 -87.22 -16.13 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -125.76 106.66 26.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.668 ' CD ' HD12 ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.79 107.31 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.635 2.223 . . . . 0.0 112.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.501 HG23 ' HB3' ' A' ' 34' ' ' GLU . 7.7 p -120.04 118.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CE2' ' OG1' ' A' ' 72' ' ' THR . 0.1 OUTLIER -115.7 -44.93 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 50.51 51.88 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -107.39 172.79 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -130.73 128.44 40.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -123.61 155.79 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 p -125.86 149.28 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.6 m-85 -141.21 130.33 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -79.21 90.54 4.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.53 132.29 8.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 131.9 22.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' CD1' ' NE2' ' A' ' 97' ' ' GLN . 59.6 t80 -35.96 -55.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PHE . 25.1 mt -36.62 -54.95 0.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.461 ' CG ' ' NH1' ' A' ' 99' ' ' ARG . 27.0 tt0 -64.14 -44.86 90.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.17 -46.96 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' NE2' ' CD1' ' A' ' 93' ' ' PHE . 43.0 mt-30 -59.7 -33.52 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 95' ' ' GLU . 37.0 mtp180 -78.44 -32.83 48.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.461 ' NH1' ' CG ' ' A' ' 95' ' ' GLU . 46.6 mmt-85 -80.69 169.39 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 20.2 m -128.83 151.53 49.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.575 HD22 ' HB ' ' A' ' 19' ' ' THR . 10.7 tp -99.44 101.79 13.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 121' ' ' SER . 13.9 tp -111.2 139.04 46.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mp -131.92 102.67 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.462 ' CG2' HG23 ' A' ' 116' ' ' VAL . 92.9 m -89.5 126.61 35.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 58' ' ' VAL . 54.6 t -94.87 102.73 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.478 ' HB ' ' CE1' ' A' ' 57' ' ' TYR . 6.2 t -114.82 141.81 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -131.34 126.14 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -68.05 95.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 -68.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 111' ' ' PHE . 3.4 tppp? -67.38 112.33 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.55 ' CE2' ' HD2' ' A' ' 110' ' ' LYS . 16.7 m-85 40.14 31.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 81.6 p 41.28 46.64 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -106.22 -75.32 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.86 125.56 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 116' ' ' VAL . 3.5 m -133.92 39.71 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 104' ' ' THR . 2.9 p -35.2 116.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 54.0 mt -78.49 -39.94 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -175.66 -178.82 45.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -145.23 140.3 27.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 102' ' ' LEU . 40.8 t -121.45 117.72 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.455 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 29.1 p -107.52 152.26 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.558 HG21 ' HZ2' ' A' ' 135' ' ' TRP . 1.3 p -158.84 121.46 1.98 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.619 0.723 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.11 12.96 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.74 2.293 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.419 HD22 HD21 ' A' ' 129' ' ' LEU . 25.7 mt -84.77 21.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.3 m -85.0 -51.72 6.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -74.84 -51.2 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.414 HG21 ' CH2' ' A' ' 135' ' ' TRP . 75.0 t -53.81 145.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.75 81.38 2.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.419 HD21 HD22 ' A' ' 124' ' ' LEU . 13.9 mt -45.38 -51.4 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.513 HG12 HD21 ' A' ' 23' ' ' LEU . 31.1 m -51.01 -35.72 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -88.08 -10.0 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.54 160.52 34.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' THR . . . -137.87 140.26 11.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.438 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.1 t-160 -164.92 108.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.558 ' HZ2' HG21 ' A' ' 122' ' ' VAL . 39.1 p90 -153.11 178.2 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.537 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 14.3 m95 -120.26 129.17 53.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.426 ' HE2' ' CD1' ' A' ' 135' ' ' TRP . 12.3 mttm -125.05 173.2 8.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -112.93 137.33 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.84 153.88 43.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.41 HG22 ' CE2' ' A' ' 10' ' ' TYR . 8.3 pt -132.42 153.34 81.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 102.34 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t -66.77 -52.65 41.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 148.09 153.76 6.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -49.38 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.361 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 60.0 p -60.59 135.79 57.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 51.0 p -72.8 -50.1 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -121.17 104.03 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.822 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -102.5 113.54 26.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.06 -102.16 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m 52.54 45.35 28.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -88.22 114.37 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.5 -131.26 2.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.8 t -61.41 165.09 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.801 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 2.9 tppp? -152.22 158.54 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.1 m-85 -52.7 -178.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -125.52 69.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.07 -29.74 6.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.13 -160.75 22.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.414 ' HA ' HD12 ' A' ' 139' ' ' LEU . 49.8 mtp -141.71 156.89 45.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 tp -135.89 133.23 37.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.742 ' ND1' HG21 ' A' ' 33' ' ' ILE . 9.6 t-160 -89.26 125.79 35.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.64 ' CZ ' HG11 ' A' ' 120' ' ' VAL . 27.2 p90 -157.67 154.02 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.588 ' HB3' ' CD2' ' A' ' 134' ' ' HIS . 3.2 p -141.05 141.91 34.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 19' ' ' THR . 8.9 t -117.21 110.37 18.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -127.8 154.01 45.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -122.31 126.84 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -83.66 109.15 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 23' ' ' LEU . 2.8 mm? -69.36 -33.27 72.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.06 -45.19 89.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -92.39 -11.75 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 59.04 43.76 17.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 27' ' ' HIS . 1.7 p-80 -139.49 167.74 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -94.14 126.05 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -112.65 105.58 13.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -106.03 103.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -90.24 109.26 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.9 t -73.08 111.62 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.742 HG21 ' ND1' ' A' ' 16' ' ' HIS . 41.3 mt -91.13 165.72 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.612 ' N ' HG22 ' A' ' 33' ' ' ILE . 7.2 pt-20 -60.38 -174.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -152.56 -179.25 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NE ' ' CH2' ' A' ' 136' ' ' TRP . 21.5 ptt180 -163.83 175.39 10.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 64.42 35.7 9.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.97 123.17 61.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.939 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.78 67.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.382 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.03 58.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.646 2.231 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' C ' HD13 ' A' ' 42' ' ' ILE . 54.0 Cg_endo -69.76 87.4 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.519 HD13 ' C ' ' A' ' 41' ' ' PRO . 5.2 mm -109.16 132.53 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' HIS . 3.0 m -79.57 177.21 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.471 ' CE1' ' OD1' ' A' ' 45' ' ' ASP . 39.7 p-80 -37.08 -42.84 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.471 ' OD1' ' CE1' ' A' ' 44' ' ' HIS . 33.4 p-10 -123.56 118.54 27.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.47 123.46 1.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -82.09 -61.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt85 -170.01 135.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -106.89 152.24 24.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -103.74 -38.84 6.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 ptm -133.17 73.19 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.58 117.15 27.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.477 ' HB3' ' CD ' ' A' ' 77' ' ' LYS . 1.9 p-80 -117.33 176.24 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 p -173.51 166.72 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 84.0 m-20 -108.03 84.25 2.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 139.48 40.48 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.361 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.746 ' CE1' ' CE2' ' A' ' 108' ' ' PHE . 29.0 p90 -148.6 142.8 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.5 t -95.56 141.88 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -116.04 155.66 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -129.14 135.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.8 p -149.32 139.59 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.611 HD13 HH21 ' A' ' 99' ' ' ARG . 69.9 mt -99.41 144.0 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 64.5 mt -121.75 155.06 60.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.933 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.5 Cg_endo -69.73 -40.48 1.09 Allowed 'Cis proline' 0 C--O 1.231 0.135 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 -0.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.1 105.75 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' LYS . 8.7 pt20 -110.57 12.45 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.6 OUTLIER -37.49 -66.74 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -85.16 118.04 24.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -122.17 143.76 49.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -111.96 175.08 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.416 ' N ' ' NE2' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -165.1 156.4 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.8 p -90.95 145.53 24.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -44.65 157.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 39.5 t -72.66 124.83 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -89.96 163.24 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 78' ' ' THR . 26.2 mmt180 -95.79 165.36 12.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' CD ' ' HB3' ' A' ' 53' ' ' HIS . 24.1 ttpt -33.85 107.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 76' ' ' ARG . 12.1 t -167.94 150.83 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -89.17 -43.11 11.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -104.57 92.65 5.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.565 0.698 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.5 Cg_endo -69.77 127.5 14.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.9 t -121.19 106.59 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.9 m-85 -100.71 -51.55 3.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 49.56 48.34 21.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -108.52 148.8 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.01 138.7 41.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -127.6 161.05 29.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.576 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 1.2 p -133.61 148.13 51.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.101 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 88' ' ' THR . 23.2 m-85 -142.1 115.38 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -66.57 93.82 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -146.29 133.04 9.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.9 Cg_endo -69.77 124.89 11.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 94' ' ' LEU . 17.5 t80 -34.49 -61.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' PHE . 77.8 mt -34.28 -45.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -76.08 -50.89 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.569 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -41.36 -30.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -67.44 -44.43 78.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -81.59 12.9 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.611 HH21 HD13 ' A' ' 62' ' ' LEU . 7.7 mmm180 -103.71 174.77 5.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 26.8 m -139.27 137.94 36.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HB3' HG13 ' A' ' 122' ' ' VAL . 13.0 tp -91.02 115.88 28.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.498 HD23 ' CB ' ' A' ' 121' ' ' SER . 1.4 tm? -122.87 120.78 34.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.459 HD11 ' CG ' ' A' ' 101' ' ' LEU . 2.4 mp -120.24 125.17 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -108.54 147.93 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.1 t -124.02 111.8 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -115.55 159.28 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -129.44 134.5 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE2' ' CE1' ' A' ' 57' ' ' TYR . 17.3 m-85 -93.62 102.95 15.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.9 -54.63 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -167.82 155.91 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 112' ' ' SER . 44.3 m-85 55.23 27.83 10.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PHE . 54.8 p 35.89 36.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.1 mmm-85 -51.85 172.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -125.47 58.51 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 t -100.07 87.78 3.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.6 m -66.46 138.86 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.8 mt -79.75 -30.95 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.01 173.19 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -144.26 152.24 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.64 HG11 ' CZ ' ' A' ' 17' ' ' PHE . 79.4 t -128.7 119.22 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.498 ' CB ' HD23 ' A' ' 102' ' ' LEU . 3.9 p -113.93 133.3 55.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -144.21 125.76 8.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 0.0 111.143 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 138.58 38.11 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 mt -102.32 18.65 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.6 t -74.96 -26.7 59.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.47 -36.81 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.449 HG11 ' CG2' ' A' ' 19' ' ' THR . 23.3 t -37.89 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.75 99.2 2.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 79.2 mt -84.56 -42.67 15.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.427 HG12 HD11 ' A' ' 23' ' ' LEU . 27.6 m -69.98 -24.89 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -105.99 -11.73 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.59 164.7 33.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.453 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -139.28 76.69 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 18' ' ' SER . 4.0 m80 -94.11 113.24 25.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.313 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.465 ' CZ2' HG21 ' A' ' 122' ' ' VAL . 12.3 p90 -153.56 179.21 9.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.618 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.2 m95 -130.6 117.69 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -112.72 164.22 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -102.35 128.39 48.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 14' ' ' MET . 5.2 mp -59.88 137.21 58.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 17.9 pt -110.49 150.1 41.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 0.0 111.105 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 98.43 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.258 . . . . 0.0 112.308 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -59.27 141.83 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.68 143.81 20.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 118.43 5.67 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 70.2 m -74.08 -50.9 17.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 68.2 p -65.71 -49.11 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -109.43 94.69 5.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -174.98 145.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -159.38 -99.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.9 p 35.71 42.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -79.46 149.14 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.817 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.4 -115.82 1.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 t -115.19 -54.52 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 10' ' ' TYR . 8.2 tppt? -171.59 157.48 4.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.8 m-85 -55.81 -53.23 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 57.52 34.59 24.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 117' ' ' ILE . 42.3 mt -94.61 -33.36 13.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.83 -148.35 17.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.471 ' HE3' ' HB2' ' A' ' 138' ' ' ALA . 48.6 mtp -153.15 136.16 15.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.4 tp -110.3 136.63 49.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.666 ' ND1' HG21 ' A' ' 33' ' ' ILE . 7.5 t-160 -97.44 132.72 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CD2' HD21 ' A' ' 101' ' ' LEU . 33.5 p90 -158.17 158.09 33.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -141.39 129.72 22.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -110.99 117.27 32.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -138.79 124.35 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 4.0 t80 -98.6 128.69 45.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.5 m-20 -95.65 126.28 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.01 -31.51 30.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -50.68 -43.11 57.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -116.44 15.18 15.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 40.3 49.54 2.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.7 p-80 -131.61 163.29 28.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.29 115.28 29.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 m -94.34 96.9 9.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -101.78 103.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm105 -92.03 102.14 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 60' ' ' ILE . 48.6 t -66.82 103.06 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.666 HG21 ' ND1' ' A' ' 16' ' ' HIS . 28.2 mt -78.04 166.74 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.779 ' HB2' HG22 ' A' ' 82' ' ' VAL . 12.1 pt-20 -69.52 -175.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.59 177.04 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -166.48 163.55 17.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 70.71 47.48 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.916 HD22 HG21 ' A' ' 117' ' ' ILE . 42.0 mt -98.56 149.5 35.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.957 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' A' ' 117' ' ' ILE . 53.6 Cg_endo -69.79 129.89 18.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 0.0 112.348 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 170.23 16.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.654 2.236 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 91.96 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.0 mm -139.33 139.17 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -109.93 -68.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -163.4 116.69 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 49.18 38.54 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -41.52 129.55 3.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.2 m -59.88 -56.42 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -170.63 169.6 7.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.705 ' HG3' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -145.83 154.91 42.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -85.91 -65.18 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.414 ' HB2' ' ND1' ' A' ' 53' ' ' HIS . 6.7 ptm -118.65 -12.92 9.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.705 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . 52.86 38.4 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' A' ' 51' ' ' MET . 25.2 m170 -115.92 173.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 t -166.66 -175.02 2.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 9.1 p-10 -108.13 82.43 1.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 168.32 21.93 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 27.5 p90 -166.99 132.96 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 97.1 t -99.86 142.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -113.8 164.09 14.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.566 HD11 HG21 ' A' ' 32' ' ' VAL . 5.0 mt -134.6 113.06 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 56.7 m -122.96 139.33 54.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.0 mt -107.78 91.73 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 79.8 mt -57.88 152.82 36.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.3 Cg_endo -69.73 -26.0 7.66 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.362 -0.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.76 117.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' LYS . 2.2 mm-40 -121.52 -44.48 2.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' GLN . 22.6 mtmm -34.05 -61.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -82.05 107.82 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.8 p -113.76 147.78 37.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 10.2 tppt? -105.91 148.97 27.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.446 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 8.9 tt0 -137.42 145.88 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.8 p -84.66 -58.82 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.87 -175.24 45.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 55' ' ' ASN . 84.2 t -108.2 121.96 61.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.399 . . . . 0.0 111.099 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 16.4 mmtp -80.63 168.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 21.2 mmt85 -118.97 109.68 16.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ARG . 19.9 mttp 35.39 55.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -115.23 137.14 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' HD3' HG23 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -129.58 107.94 17.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.55 0.69 . . . . 0.0 110.908 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.593 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.8 99.01 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.323 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 34' ' ' GLU . 87.2 t -101.35 72.58 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 81' ' ' PRO . 74.7 m-85 -69.44 -50.89 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 51.4 41.69 28.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -108.62 147.95 31.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -96.25 150.66 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -141.87 150.43 41.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.0 p -124.16 157.37 34.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.634 ' O ' HG22 ' A' ' 91' ' ' ILE . 58.7 m-85 -148.54 112.78 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -63.59 82.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.634 HG22 ' O ' ' A' ' 89' ' ' PHE . 1.6 tt -136.39 132.2 18.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.62 0.724 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' LEU . 54.3 t80 -39.02 -60.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' PHE . 9.9 mp -34.8 -47.24 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -73.47 -45.17 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.14 15.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -56.59 -41.09 76.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -70.99 -43.82 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.8 169.79 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 122' ' ' VAL . 89.8 m -138.46 139.27 38.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 ' CD2' ' A' ' 17' ' ' PHE . 17.8 tp -81.74 113.07 19.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 111.99 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mp -108.17 128.08 54.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 106' ' ' VAL . 54.2 m -117.64 130.47 56.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 50.8 t -103.12 102.41 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 16.9 t -110.95 135.44 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.06 109.52 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -89.4 90.48 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -74.85 -74.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -175.08 -175.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 60.27 34.67 20.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.7 p 47.7 35.65 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -128.47 112.93 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.42 ' HB2' HG12 ' A' ' 106' ' ' VAL . 8.3 p80 -116.26 121.22 41.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 t -90.29 128.04 36.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.7 t -78.54 90.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.916 HG21 HD22 ' A' ' 38' ' ' LEU . 28.1 mm -40.08 -55.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -176.77 -173.83 42.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.479 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.63 159.94 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 72.3 t -140.72 133.6 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.0 p -118.3 150.58 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 100' ' ' THR . 10.9 p -165.08 121.71 1.06 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.46 ' O ' HG23 ' A' ' 127' ' ' VAL . 54.0 Cg_endo -69.74 116.77 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.382 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.595 HD22 HD21 ' A' ' 129' ' ' LEU . 12.6 mt -67.04 -26.93 67.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 126' ' ' GLU . 12.8 p -47.66 -44.73 27.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 127' ' ' VAL . 19.1 pt-20 -85.87 -45.56 11.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 19' ' ' THR . 79.3 t -45.6 156.61 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 127' ' ' VAL . 9.5 m-20 -97.7 88.73 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.595 HD21 HD22 ' A' ' 124' ' ' LEU . 22.0 mt -69.48 -51.03 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.01 -54.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -71.68 -45.88 60.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 126.95 150.97 7.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -124.45 125.79 5.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -151.31 107.56 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.465 ' CD1' ' HG3' ' A' ' 137' ' ' LYS . 45.0 p90 -153.09 179.2 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.552 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 13.9 m95 -121.71 114.66 21.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 22.4 mttt -109.02 168.86 9.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . 0.471 ' HB2' ' HE3' ' A' ' 14' ' ' MET . . . -111.28 119.36 38.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 139' ' ' LEU . 5.4 mp -48.74 164.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 13.1 pt -137.1 152.23 73.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 100.69 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.2 t -61.91 155.07 24.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.74 170.49 46.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 114.14 3.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 m -70.43 97.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.9 t -88.87 128.51 35.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -112.19 152.6 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -98.59 -46.79 5.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.29 -114.79 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t 58.64 40.82 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.81 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -100.83 86.01 3.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.98 -121.81 0.75 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -68.76 161.13 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -110.87 118.32 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' CG ' ' HD3' ' A' ' 141' ' ' PRO . 13.0 p90 -47.89 102.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.95 52.7 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD22 ' O ' ' A' ' 117' ' ' ILE . 59.0 mt -68.03 -42.38 80.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.36 -158.23 23.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.429 ' HA ' HD12 ' A' ' 139' ' ' LEU . 63.4 mtp -140.13 146.62 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 35' ' ' ALA . 15.4 tp -123.86 139.86 53.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 4.4 t-160 -98.03 133.21 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.87 154.74 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.7 p -134.77 120.39 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' THR . 9.8 t -100.64 113.14 25.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -135.96 131.73 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 129' ' ' LEU . 10.9 t80 -103.41 138.65 39.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.453 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.7 m-20 -107.17 132.5 52.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.1 mt -86.52 -37.94 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 24' ' ' LEU . 2.4 tm? -43.09 -42.85 4.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -113.31 -0.34 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 54.3 43.89 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -126.74 168.46 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' HG23 ' A' ' 30' ' ' VAL . 35.5 tp -97.78 113.92 25.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 m -92.2 98.26 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG23 ' HG ' ' A' ' 28' ' ' LEU . 96.4 t -108.76 105.48 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -95.74 116.16 28.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.35 112.24 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' N ' ' A' ' 34' ' ' GLU . 33.3 mt -90.73 164.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.632 ' HB3' HG23 ' A' ' 82' ' ' VAL . 16.9 pt-20 -62.13 -177.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -151.73 -179.15 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -164.06 160.92 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 73.14 42.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 117' ' ' ILE . 24.8 mt -100.72 135.9 19.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 142.55 48.09 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 159.11 54.59 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' C ' HG13 ' A' ' 42' ' ' ILE . 54.1 Cg_endo -69.8 81.17 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.284 . . . . 0.0 112.374 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 43' ' ' SER . 30.3 mt -144.6 160.79 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.533 ' N ' HG22 ' A' ' 42' ' ' ILE . 5.4 t -67.76 -68.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -78.46 -179.93 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.92 123.66 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.0 -176.75 18.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -89.16 155.28 19.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -39.24 115.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -98.37 149.81 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -99.18 -29.57 12.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.6 mtm -87.94 46.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -171.92 107.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -112.36 172.8 6.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' HD3' ' A' ' 56' ' ' PRO . 85.4 p -172.55 160.4 4.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -106.9 84.63 1.61 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 54' ' ' SER . 53.6 Cg_endo -69.8 156.41 63.33 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.435 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 48.6 p90 -154.33 152.89 30.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.8 144.6 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' C ' HG13 ' A' ' 60' ' ' ILE . 5.3 mtmp? -111.05 162.22 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.441 HG13 ' C ' ' A' ' 59' ' ' LYS . 5.1 mt -138.18 113.07 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.1 m -125.99 136.87 53.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.5 mt -105.05 91.64 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 33.2 mt -62.87 155.01 73.7 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.552 0.692 . . . . 0.0 110.947 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.5 Cg_endo -69.75 -33.13 3.53 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.404 -0.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' PRO . 5.5 m-20 -34.14 116.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' LYS . 33.6 mt-30 -111.7 -46.33 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -34.11 -69.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -70.35 108.59 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.4 p -121.12 137.88 54.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.598 ' HE3' ' CD2' ' A' ' 87' ' ' TYR . 10.9 tptp -104.41 146.82 28.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.474 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.0 pt20 -143.41 142.11 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.582 HG22 ' CZ ' ' A' ' 87' ' ' TYR . 67.2 p -81.31 -178.07 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.36 -156.99 1.35 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.85 143.0 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 111.17 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.9 mmtm -115.3 157.1 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LYS . 1.6 mpt_? -76.21 163.53 26.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ARG . 1.3 pmtp? -29.35 130.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -176.7 163.44 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -99.33 -42.16 7.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -110.5 106.49 57.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.574 0.702 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.476 ' CD ' HD12 ' A' ' 38' ' ' LEU . 53.5 Cg_endo -69.82 122.76 9.42 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 34' ' ' GLU . 2.0 p -137.85 107.07 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -106.83 -46.18 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 58.22 49.63 10.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -107.66 153.18 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -103.79 134.98 46.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.598 ' CD2' ' HE3' ' A' ' 70' ' ' LYS . 68.3 m-85 -126.88 155.73 42.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.482 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 p -131.8 153.44 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 88' ' ' THR . 26.7 m-85 -144.0 128.66 18.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.11 83.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 96' ' ' ALA . 1.5 tt -137.16 132.2 17.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.119 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.59 28.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.635 2.223 . . . . 0.0 112.331 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 41.8 t80 -38.71 -64.37 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' CD1' ' H ' ' A' ' 94' ' ' LEU . 9.4 mp -36.03 -44.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -72.6 -49.07 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.515 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -43.21 -44.95 5.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -60.25 -47.75 84.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -65.98 -31.22 72.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -78.53 157.71 28.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 122' ' ' VAL . 27.2 m -121.13 143.64 48.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.5 ' CD2' HD11 ' A' ' 103' ' ' LEU . 21.8 tp -86.89 108.98 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -115.37 106.35 13.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.5 HD11 ' CD2' ' A' ' 101' ' ' LEU . 3.2 mp -101.8 117.11 34.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.4 m -107.8 123.75 49.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.72 111.05 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.435 ' HB ' ' CZ ' ' A' ' 57' ' ' TYR . 57.4 t -113.7 150.65 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.64 118.09 35.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -83.3 123.04 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 113' ' ' ARG . 6.0 t70 -96.7 -175.08 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 110' ' ' LYS . 2.3 mppt? -115.23 -9.75 12.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.498 ' HB2' ' CD ' ' A' ' 113' ' ' ARG . 87.7 m-85 -105.11 19.63 20.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m 73.0 36.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.498 ' CD ' ' HB2' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -96.54 -177.55 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.45 ' CD2' ' N ' ' A' ' 114' ' ' HIS . 0.0 OUTLIER -165.49 148.43 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.7 t -166.28 125.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.1 t -89.36 109.72 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.661 HG21 HD22 ' A' ' 38' ' ' LEU . 5.5 mm -64.42 -39.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 166.53 170.23 31.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 102' ' ' LEU . 35.9 pttt -136.13 146.87 47.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.0 t -128.98 120.24 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.484 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 60.4 p -110.19 152.36 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 100' ' ' THR . 3.1 p -163.81 127.78 1.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.648 0.737 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 125.46 12.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.485 ' HB3' HD21 ' A' ' 129' ' ' LEU . 6.3 mt -87.35 26.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.14 -48.61 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -85.7 -43.34 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.734 HG11 ' HH2' ' A' ' 135' ' ' TRP . 73.8 t -53.97 134.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.59 105.01 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 124' ' ' LEU . 10.2 mt -74.47 -72.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -38.33 -42.5 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.814 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.518 ' HD2' HG23 ' A' ' 130' ' ' VAL . 5.4 mptt -71.75 -40.1 69.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 115.79 136.27 5.9 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -116.72 136.23 12.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.51 ' NE2' HD13 ' A' ' 33' ' ' ILE . 11.0 t-160 -155.69 109.33 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.734 ' HH2' HG11 ' A' ' 127' ' ' VAL . 40.8 p90 -151.8 178.1 9.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.571 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 21.2 m95 -120.92 123.95 43.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -119.04 167.95 11.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -109.95 113.49 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' ' 139' ' ' LEU . 5.8 mp -45.09 152.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.7 pt -124.59 151.83 67.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.644 0.735 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.466 ' HD3' ' CG ' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.77 111.69 2.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.305 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.9 t -74.62 128.87 36.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -148.58 -178.45 23.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 152.3 69.19 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.69 2.26 . . . . 0.0 112.3 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -75.47 102.21 5.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.0 t 50.6 42.06 26.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -140.9 138.86 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -131.82 173.05 11.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -109.64 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m 56.31 42.21 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -107.76 141.22 39.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 148.43 142.14 3.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 7' ' ' GLY . 80.1 p -36.77 -46.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -165.31 155.75 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.38 149.16 21.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -126.4 74.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.95 -39.43 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.47 -157.71 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.483 ' HE3' ' C ' ' A' ' 137' ' ' LYS . 30.8 mtp -147.0 150.55 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -128.44 136.87 51.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.598 ' ND1' HG21 ' A' ' 33' ' ' ILE . 4.5 t-160 -96.42 131.52 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -157.43 159.12 37.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 92.2 p -138.77 121.7 16.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 19' ' ' THR . 9.0 t -104.19 115.22 30.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -139.5 126.43 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -92.98 126.79 38.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 8.4 m-20 -82.7 121.3 26.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.626 HD11 HG12 ' A' ' 130' ' ' VAL . 3.1 mm? -82.34 -27.57 32.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -70.38 -52.0 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 36.4 m80 -86.26 -2.79 58.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 50.81 50.19 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 1.7 p-80 -145.83 170.46 16.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -96.74 114.2 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -95.08 99.42 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -104.23 104.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -97.88 122.3 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.57 126.93 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 34' ' ' GLU . 25.1 mt -105.39 165.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.633 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.4 pt-20 -64.57 161.9 16.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.7 -179.32 5.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -164.91 167.06 19.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 71.56 33.12 1.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.27 141.67 23.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.618 0.723 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 130.62 19.66 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.78 20.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 82.04 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.67 2.246 . . . . 0.0 112.358 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.406 ' CG2' ' HA2' ' A' ' 46' ' ' GLY . 39.5 mm -131.77 137.3 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 t -95.11 171.17 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -43.96 -42.29 5.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.58 -54.77 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA2' ' CG2' ' A' ' 42' ' ' ILE . . . 95.26 81.43 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' ARG . 83.0 p -90.22 175.67 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.83 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' SER . 15.9 ptt180 -37.49 117.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' ASP . 11.8 tt0 -82.3 -54.87 4.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.2 m-20 -34.42 -64.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.9 mtp -89.9 86.2 6.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' O ' ' ND1' ' A' ' 53' ' ' HIS . . . -144.44 120.87 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 52' ' ' ALA . 18.7 m-70 -146.35 164.23 33.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.3 p -163.1 179.77 7.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.439 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 1.2 m-80 -107.72 76.77 0.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.39 16.65 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.682 2.255 . . . . 0.0 112.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -172.21 134.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 105' ' ' VAL . 93.8 t -94.14 137.89 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -102.97 159.35 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.31 144.16 36.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.0 t -169.67 163.36 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.2 mt -123.19 96.69 5.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 46.1 mt -58.81 155.68 29.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.654 0.74 . . . . 0.0 110.898 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 54.2 Cg_endo -69.75 -35.85 2.55 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.358 -0.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' PRO . 9.7 t0 -37.22 112.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -96.31 -34.7 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -69.7 -174.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.07 26.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.0 p -85.57 158.86 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -104.34 178.19 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -163.87 132.35 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.4 p -66.73 150.69 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.11 160.28 27.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 55' ' ' ASN . 88.6 t -74.85 126.73 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -89.0 169.15 11.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' LYS . 19.4 mmm180 -85.76 161.8 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' ARG . 13.1 mptt -37.08 114.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 t -175.24 159.62 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -91.3 -45.0 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 20.1 mttp -102.7 105.38 44.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.79 136.5 33.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 34' ' ' GLU . 93.8 t -134.43 95.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -96.36 -59.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 60.86 39.89 16.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 6.4 tp10 -103.19 153.34 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 43.2 ttp180 -104.24 148.33 26.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -137.31 154.47 50.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 3.3 p -128.7 163.95 24.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 88' ' ' THR . 65.5 m-85 -157.74 126.77 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -72.99 82.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 tt -137.56 132.34 17.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.51 28.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.29 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 77.4 t80 -39.22 -45.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 mt -46.4 -52.17 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' HG2' ' CG ' ' A' ' 99' ' ' ARG . 16.5 tt0 -64.09 -54.78 28.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.38 -45.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.595 ' OE1' ' CD2' ' A' ' 93' ' ' PHE . 31.0 mt-30 -53.28 -57.34 10.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.43 -26.62 66.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.42 ' CG ' ' HG2' ' A' ' 95' ' ' GLU . 21.5 mmt85 -73.15 139.98 46.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 90.6 m -106.75 124.47 49.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.663 ' HG ' HD11 ' A' ' 103' ' ' LEU . 67.2 tp -65.96 115.86 6.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 120' ' ' VAL . 0.6 OUTLIER -117.32 122.11 43.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.663 HD11 ' HG ' ' A' ' 101' ' ' LEU . 1.1 mp -127.98 101.2 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 m -99.62 129.9 45.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 58' ' ' VAL . 76.9 t -98.66 103.51 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.07 133.54 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -98.8 131.81 44.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 109' ' ' ASP . 34.7 t80 -79.09 115.02 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 1.4 m-20 -79.43 -177.37 5.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.02 -42.17 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -79.82 47.12 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.1 m 40.78 46.66 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -113.09 162.43 15.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -128.49 138.32 52.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 45.4 t -150.55 134.61 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.4 t -105.55 88.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 42.0 mt -44.38 -60.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.0 -179.43 38.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -152.69 153.73 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.47 ' O ' HD22 ' A' ' 102' ' ' LEU . 63.9 t -123.94 132.84 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.456 ' HB3' ' CD2' ' A' ' 102' ' ' LEU . 73.7 p -129.19 116.94 19.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.56 HG22 ' HE3' ' A' ' 137' ' ' LYS . 37.8 t -131.33 126.9 21.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.72 13.67 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' A' ' 101' ' ' LEU . 8.0 mt -96.37 26.15 4.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 31.9 p -94.75 -12.56 26.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -125.54 -33.85 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.777 HG11 ' HH2' ' A' ' 135' ' ' TRP . 88.9 t -56.11 137.12 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.77 90.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 124' ' ' LEU . 46.4 mt -74.58 -66.39 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.626 HG12 HD11 ' A' ' 23' ' ' LEU . 8.5 m -40.24 -41.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -82.44 -29.06 30.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . 114.42 161.32 13.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -136.96 132.85 6.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -153.75 109.24 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.777 ' HH2' HG11 ' A' ' 127' ' ' VAL . 42.8 p90 -152.89 179.35 8.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.546 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 18.9 m95 -122.0 122.28 38.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 122' ' ' VAL . 12.3 mttm -117.93 176.56 5.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -116.2 142.19 47.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 4.9 mp -72.31 140.71 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 7.0 pt -113.73 151.0 44.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.689 0.757 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.32 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.0 t -61.2 134.93 57.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.96 152.95 39.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.49 9.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.7 p -174.53 142.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.0 t -60.15 144.9 48.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -154.05 161.58 41.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -105.03 140.45 38.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.97 -76.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -52.17 -45.45 65.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -83.46 -52.41 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.44 86.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 m -128.3 149.41 50.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -79.73 147.58 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -47.81 -58.6 4.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 63.44 38.98 9.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -94.38 -44.09 8.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.12 -157.85 27.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.51 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.6 mtp -149.77 144.01 25.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 35' ' ' ALA . 13.6 tp -123.98 133.11 53.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.617 ' CD2' ' NE1' ' A' ' 136' ' ' TRP . 12.8 t-160 -93.76 127.62 39.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -159.37 172.39 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.9 p -150.31 132.92 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.453 ' HB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t -105.76 116.47 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -139.65 119.81 13.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -91.48 134.37 34.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 m-20 -99.2 129.92 45.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD21 HG22 ' A' ' 130' ' ' VAL . 3.8 mm? -85.63 -39.98 16.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -42.58 -43.47 3.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 26.6 m-70 -111.67 -7.71 14.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m120 62.35 37.72 13.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 22' ' ' ASP . 1.5 p-80 -118.38 169.35 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -101.99 116.63 33.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.77 97.95 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.82 102.35 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -92.33 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.8 t -84.38 102.72 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 34' ' ' GLU . 11.7 mt -80.64 164.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.576 ' N ' HG22 ' A' ' 33' ' ' ILE . 6.2 pt-20 -54.4 173.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.725 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -149.31 176.09 10.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -157.5 172.03 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 70.93 41.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.6 mt -99.32 129.42 29.28 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.18 69.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 169.41 19.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' HD3' ' CE1' ' A' ' 53' ' ' HIS . 53.6 Cg_endo -69.79 80.26 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 45' ' ' ASP . 29.3 mm -119.47 144.02 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.1 t -125.54 -48.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -109.05 -64.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -119.88 156.14 31.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.14 79.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.6 t -69.52 -56.57 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -129.33 104.27 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' A' ' 52' ' ' ALA . 4.7 tt0 -130.37 116.26 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -126.93 -33.29 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 ptp -85.81 44.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' HIS . . . -153.61 114.69 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 14.5 m-70 -173.81 146.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.442 ' C ' ' CG ' ' A' ' 55' ' ' ASN . 13.6 p -106.11 -74.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.551 ' HB3' HG13 ' A' ' 74' ' ' VAL . 1.0 OUTLIER -163.95 105.23 0.91 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 55' ' ' ASN . 53.1 Cg_endo -69.8 135.64 30.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -152.27 136.27 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 105' ' ' VAL . 58.8 t -97.87 139.87 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' HG13 ' A' ' 60' ' ' ILE . 14.3 mtpp -99.31 163.78 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' LYS . 10.6 mt -137.88 118.24 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.3 p -133.82 132.31 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.4 mt -102.19 91.67 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 26.4 mt -58.83 154.71 35.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.6 Cg_endo -69.75 -24.22 8.67 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.341 -0.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD2' ' NH2' ' A' ' 99' ' ' ARG . 12.5 m-20 -46.58 118.93 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 -44.68 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.57 -58.04 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -77.74 115.34 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 m -140.32 143.96 36.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ILE . 8.0 tppt? -112.63 144.15 42.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 3.9 pt20 -129.7 150.79 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -83.47 166.7 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.31 -170.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' A' ' 55' ' ' ASN . 92.7 t -124.58 122.48 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -106.93 169.3 8.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 77' ' ' LYS . 55.6 mmm-85 -76.28 156.53 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' ARG . 15.2 pttt -36.48 115.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 78' ' ' THR . 12.3 t -163.68 117.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -45.64 -55.41 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 4.0 mptt -99.74 100.23 10.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 53.6 Cg_endo -69.75 154.5 67.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 2.217 . . . . 0.0 112.361 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.1 t -131.43 92.3 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 81' ' ' PRO . 20.1 m-85 -98.6 -51.71 3.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER 33.57 47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -102.28 168.39 9.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -118.37 142.69 47.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -136.0 151.84 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 p -128.0 148.59 50.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -141.12 123.84 16.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -71.46 94.81 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 1.5 tt -154.19 133.04 7.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' PHE . 53.6 Cg_endo -69.76 139.21 39.68 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.334 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.478 ' O ' ' C ' ' A' ' 94' ' ' LEU . 31.5 t80 -37.39 -64.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 93' ' ' PHE . 8.6 mp -31.93 -54.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' OE2' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -61.42 -52.46 64.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.58 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -47.71 -41.49 22.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -71.75 -35.33 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 95' ' ' GLU . 18.2 mmt85 -74.39 150.78 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 122' ' ' VAL . 41.6 m -116.87 131.93 56.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' HD11 ' A' ' 124' ' ' LEU . 11.2 tp -78.94 105.03 9.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 119' ' ' LYS . 3.9 tt -121.48 124.88 45.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.467 HD11 HD11 ' A' ' 101' ' ' LEU . 4.5 mp -115.45 114.68 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.9 m -101.33 111.51 23.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 58' ' ' VAL . 47.4 t -80.49 110.69 16.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 115' ' ' CYS . 44.0 t -127.36 142.42 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 108' ' ' PHE . 18.4 p-10 -83.49 151.62 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 107' ' ' ASP . 66.0 t80 -34.31 125.47 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -41.62 131.78 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -148.19 123.92 10.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 47.15 41.6 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 t 44.87 43.51 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 114' ' ' HIS . 30.6 mmt-85 -101.03 -29.1 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' ARG . 9.6 m170 35.27 42.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.42 ' O ' HG13 ' A' ' 106' ' ' VAL . 97.8 m -38.98 113.21 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.99 89.15 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 58.5 mt -50.18 -52.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -179.19 178.93 48.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.535 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.694 ' HB2' HD21 ' A' ' 102' ' ' LEU . 9.2 pttp -142.77 160.37 40.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.336 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.6 t -134.47 100.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.466 ' HB3' HD12 ' A' ' 102' ' ' LEU . 90.3 p -96.35 143.33 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 100' ' ' THR . 14.4 p -152.23 130.17 6.04 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.605 0.716 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.746 2.297 . . . . 0.0 112.299 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.792 ' O ' HD11 ' A' ' 129' ' ' LEU . 11.1 mt -88.47 34.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.2 p -116.21 -22.8 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -100.84 -45.6 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.789 HG21 ' CH2' ' A' ' 135' ' ' TRP . 10.2 p -67.7 145.97 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.14 99.35 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 124' ' ' LEU . 10.2 mt -75.21 -52.6 10.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.504 HG22 HD21 ' A' ' 23' ' ' LEU . 87.8 t -47.13 -38.91 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -80.86 -68.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 161.02 165.81 18.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.629 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -145.22 61.22 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.489 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 10.6 t-80 -83.63 98.7 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.789 ' CH2' HG21 ' A' ' 127' ' ' VAL . 9.1 p90 -147.81 174.02 12.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.617 ' NE1' ' CD2' ' A' ' 16' ' ' HIS . 6.7 m95 -115.02 132.93 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.427 ' HE3' ' NE1' ' A' ' 135' ' ' TRP . 27.3 mttt -127.51 156.82 41.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -99.29 126.83 45.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.498 HD21 ' CG2' ' A' ' 105' ' ' VAL . 4.4 mp -56.24 157.3 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 5.9 pt -135.46 152.72 77.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.072 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.0 p -52.63 149.15 6.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -146.28 157.53 27.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.72 60.88 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.3 t -57.97 132.36 53.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.0 p -149.89 132.34 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -121.7 -0.86 9.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -119.87 -59.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.41 -78.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m 47.06 40.67 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -74.23 98.2 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.71 -172.48 44.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -45.98 123.83 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -96.68 177.47 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -98.62 108.26 20.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -109.86 36.26 3.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -46.69 -52.34 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.26 -156.49 27.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.464 ' HA ' HD12 ' A' ' 139' ' ' LEU . 50.6 mtp -146.01 155.99 43.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 35' ' ' ALA . 17.2 tp -132.06 141.52 49.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 136' ' ' TRP . 5.6 t-160 -98.28 129.13 45.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.37 168.42 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -151.39 139.74 20.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 19' ' ' THR . 9.5 t -116.9 114.92 24.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -134.44 126.16 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -96.63 131.53 43.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.47 127.7 44.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ASN . 3.7 mm? -81.27 -54.87 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.608 HD23 ' H ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -40.62 -44.65 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.608 ' H ' HD23 ' A' ' 24' ' ' LEU . 31.7 m170 -94.79 -10.55 31.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' LEU . 38.1 m-80 51.25 51.34 17.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 25' ' ' HIS . 1.5 p-80 -146.28 170.91 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.41 125.87 45.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.9 m -115.12 101.47 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -96.45 105.47 17.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.01 102.39 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 32' ' ' VAL . 35.9 m -71.62 125.54 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 34' ' ' GLU . 27.8 mt -108.77 165.89 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.629 ' N ' HG22 ' A' ' 33' ' ' ILE . 12.3 pt-20 -58.43 -178.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.649 ' HB2' HD12 ' A' ' 15' ' ' LEU . . . -148.72 176.97 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -165.8 168.78 15.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.04 26.38 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.1 127.77 50.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 133.52 25.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 169.39 19.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 105.77 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 49.0 mm -128.21 143.74 39.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -112.58 151.22 30.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -49.29 -48.61 45.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.78 -48.44 80.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.65 59.36 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.8 m -91.32 106.55 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -120.35 150.74 40.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -134.81 165.36 25.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -41.25 -65.49 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 71.9 mmm -121.94 93.97 4.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.19 96.33 9.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 77' ' ' LYS . 31.2 m-70 -72.24 161.3 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.8 m -103.98 -42.71 5.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 4.4 p30 39.9 54.21 5.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.603 0.716 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 53.7 Cg_endo -69.7 172.77 11.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 106' ' ' VAL . 28.0 p90 -166.27 132.91 2.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.755 HG22 HG22 ' A' ' 105' ' ' VAL . 70.8 t -101.1 160.33 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 58' ' ' VAL . 18.3 mtpp -126.35 163.82 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.1 mt -133.52 151.21 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.5 t -165.66 169.81 14.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.5 mt -125.81 100.0 6.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 64' ' ' PRO . 35.8 mt -65.69 155.73 85.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 63' ' ' LEU . 53.4 Cg_endo -69.8 -42.2 0.79 Allowed 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.31 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' PRO . 2.8 m-20 -34.21 121.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 64' ' ' PRO . 18.9 mp0 -116.57 10.97 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -70.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.78 108.17 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 p -131.26 136.66 48.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -102.93 172.22 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -148.63 132.74 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 83' ' ' PHE . 69.0 p -83.5 142.74 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -40.89 118.78 1.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 p -73.8 112.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -74.36 167.67 21.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -131.91 139.31 48.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 17.5 mttp 59.31 52.74 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -159.96 140.27 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -89.55 -29.96 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 17.1 ptmt -107.99 94.35 12.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.556 0.694 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 83' ' ' PHE . 54.3 Cg_endo -69.74 101.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 84' ' ' GLU . 2.3 p -101.46 95.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.519 ' CG ' ' HB ' ' A' ' 72' ' ' THR . 1.4 m-85 -81.59 -42.65 19.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HG3' HG23 ' A' ' 82' ' ' VAL . 25.7 mt-10 43.0 49.36 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 86' ' ' ARG . 10.3 tp10 -110.65 166.09 11.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 31.5 ttp180 -121.88 132.91 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -123.02 167.45 13.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.552 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 2.9 p -136.25 147.38 47.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 91' ' ' ILE . 20.8 m-85 -145.44 111.0 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.94 87.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.695 HD11 ' HG2' ' A' ' 95' ' ' GLU . 3.4 tt -134.4 131.37 20.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' PHE . 54.3 Cg_endo -69.73 131.22 20.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.363 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.46 ' O ' ' C ' ' A' ' 94' ' ' LEU . 71.1 t80 -34.63 -66.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 93' ' ' PHE . 4.3 mm? -33.64 -48.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.695 ' HG2' HD11 ' A' ' 91' ' ' ILE . 31.1 tt0 -62.17 -51.25 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' PHE . . . -37.77 -51.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -51.99 -50.4 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -65.23 -43.81 90.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 95' ' ' GLU . 23.6 mmt85 -70.29 153.95 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.523 HG23 ' C ' ' A' ' 122' ' ' VAL . 54.2 m -123.42 142.15 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 tp -91.1 113.92 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 119' ' ' LYS . 5.7 tt -130.01 121.18 26.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.0 mp -103.5 144.22 31.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.2 m -123.54 119.16 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.755 HG22 HG22 ' A' ' 58' ' ' VAL . 55.5 t -97.08 123.77 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 116' ' ' VAL . 2.8 t -123.56 144.75 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.425 ' CG ' HD11 ' A' ' 117' ' ' ILE . 1.9 m-20 -106.19 92.42 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -58.76 127.75 33.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -154.97 167.86 28.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' PHE . 13.3 tppt? -54.28 135.22 44.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 110' ' ' LYS . 17.5 m-85 34.83 46.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ARG . 47.5 t -96.12 80.67 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' SER . 52.5 mtm180 -34.44 -67.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.428 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 4.7 p80 -169.88 106.99 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 30.2 p -126.62 48.77 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 106' ' ' VAL . 26.6 m -46.82 139.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 107' ' ' ASP . 12.5 mm -75.91 -39.08 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.6 -178.42 43.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.684 ' HB2' HD21 ' A' ' 102' ' ' LEU . 52.6 pttt -139.31 145.56 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 66.9 t -131.29 104.1 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.51 151.27 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.523 ' C ' HG23 ' A' ' 100' ' ' THR . 7.4 p -158.05 127.01 3.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.635 0.731 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.71 11.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.686 2.258 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.581 HD22 HD21 ' A' ' 129' ' ' LEU . 6.1 mt -85.16 26.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.6 t -84.49 -52.24 6.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' VAL . 17.8 pt-20 -87.08 -45.29 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 126' ' ' GLU . 49.2 t -36.98 145.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.92 74.53 10.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.581 HD21 HD22 ' A' ' 124' ' ' LEU . 84.9 mt -55.99 -47.96 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.6 t -41.96 -39.2 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.4 -74.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 172.46 175.62 40.61 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.586 ' CA ' ' CZ3' ' A' ' 135' ' ' TRP . . . -138.73 61.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.412 ' NE2' ' NE2' ' A' ' 16' ' ' HIS . 5.8 t-160 -84.26 104.42 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.586 ' CZ3' ' CA ' ' A' ' 133' ' ' GLY . 10.4 p90 -153.18 179.6 8.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . 0.553 ' CZ2' ' HB2' ' A' ' 16' ' ' HIS . 15.9 m95 -124.31 131.51 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 135' ' ' TRP . 15.2 mttm -128.55 164.72 22.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -101.22 139.44 36.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 14' ' ' MET . 4.8 mp -74.05 149.97 40.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 10.3 pt -123.68 151.13 63.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.665 0.745 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 99.98 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.2 t -62.96 -60.53 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 117.29 -160.31 13.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.61 3.36 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.7 m -75.92 102.2 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.1 p -112.97 159.13 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.998 . . . . . . . . 0 0 . 1 stop_ save_