data_1x4i_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 1x4i _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -120.46 -70.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.55 162.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 8.4 pt -54.2 -29.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.55 7.67 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m120 55.68 44.59 26.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -123.59 160.8 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.99 162.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.6 m -88.74 89.16 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -122.25 177.56 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.39 179.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 113.63 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.451 ' HE3' ' N ' ' A' ' 32' ' ' PHE . 28.0 mtp -117.14 149.13 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.555 HG23 ' CE3' ' A' ' 47' ' ' TRP . 6.6 p -113.07 110.73 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.36 121.67 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.08 132.78 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -53.66 -34.06 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -79.82 102.17 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.99 -21.69 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -48.81 134.15 14.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -19.01 36.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.498 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 33.8 mt -108.34 -53.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.7 tt0 51.62 25.86 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.15 107.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.498 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 5.6 m-85 -128.75 143.95 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 28.0 m170 -69.36 154.78 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -72.64 -36.73 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.15 -26.27 64.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -76.66 -39.61 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -92.01 -24.11 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 69.16 1.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' CD1' ' A' ' 47' ' ' TRP . 14.5 mt -131.48 79.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -42.14 -28.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.62 156.95 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.19 134.55 4.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 122.17 8.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -53.52 -51.58 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.2 -148.36 22.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -85.66 132.93 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CE3' HG23 ' A' ' 20' ' ' VAL . 74.2 t90 -117.53 129.83 56.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 82.7 m-85 -121.61 123.89 43.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.511 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -45.5 155.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -10.92 29.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 22.4 mt-30 -81.72 -29.5 32.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.2 m -44.53 -32.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.07 -38.36 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.77 -44.46 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -36.35 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 mttm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -98.71 -68.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.3 t -45.49 162.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 pt -53.08 -28.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -81.28 11.29 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 48.37 51.97 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -127.15 153.78 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.21 148.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -74.22 113.33 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -139.06 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.29 -162.18 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.74 112.38 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 33' ' ' HIS . 45.3 mmm -114.8 149.04 37.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG12 ' CZ3' ' A' ' 47' ' ' TRP . 14.5 p -112.82 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.47 131.2 24.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 t -60.45 126.43 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.2 t70 -49.7 -36.18 24.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -78.78 100.3 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -53.24 -31.39 43.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.2 -24.05 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.32 134.07 17.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -21.03 33.92 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mt -108.68 -51.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.3 tt0 49.8 28.23 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.0 m95 -164.48 112.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 32' ' ' PHE . 1.3 m-85 -135.77 145.96 47.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.598 ' CD2' ' SD ' ' A' ' 19' ' ' MET . 32.4 m80 -67.09 157.93 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.84 -32.73 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.91 -25.95 47.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 m -75.04 -34.07 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 m -99.92 -22.55 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.6 74.45 1.28 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -134.88 80.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -41.34 -37.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.02 -179.92 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.52 136.59 90.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.99 4.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -62.69 -52.26 63.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.39 -132.35 1.65 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -106.09 131.96 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.314 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.4 t90 -115.82 144.6 43.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.1 m-85 -138.36 124.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.0 p -46.92 155.62 0.61 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -81.6 -30.42 32.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.9 m -87.91 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.8 m -44.09 -32.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.05 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.25 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 mtm -57.87 -37.31 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -103.86 -67.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -48.51 162.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 pt -53.39 -27.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.85 9.66 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m120 50.13 50.69 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -125.67 160.11 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -55.98 158.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.8 m -84.73 95.77 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -129.13 176.84 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.45 -174.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.21 113.91 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.434 ' HE1' ' N ' ' A' ' 32' ' ' PHE . 25.2 mtp -117.71 142.66 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 10.9 p -108.22 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 128.47 28.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -57.95 125.26 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 t70 -47.71 -32.32 5.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.16 104.12 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.06 -30.18 64.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -23.42 64.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.36 134.07 17.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.69 36.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' CE2' ' A' ' 32' ' ' PHE . 24.8 mt -109.85 -51.25 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 7.9 tt0 48.38 27.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.8 m95 -164.3 108.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CE2' HD12 ' A' ' 29' ' ' ILE . 4.4 m-85 -131.2 152.63 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -77.92 152.71 33.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.89 -33.01 71.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.48 -30.07 46.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.9 m -75.21 -33.33 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m -95.25 -25.42 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.09 74.03 1.26 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -141.94 111.07 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -68.62 -34.92 76.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.46 177.43 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.84 130.27 92.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 101.6 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -46.21 62.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.83 -150.83 7.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -93.81 127.27 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CZ3' HG13 ' A' ' 20' ' ' VAL . 87.5 t90 -114.11 133.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 95.5 m-85 -124.2 120.15 31.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.0 p -43.94 155.85 0.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.73 -10.92 29.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -81.96 -29.5 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -88.01 -56.79 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.6 m -44.53 -33.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 -41.0 74.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.05 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.54 -45.19 47.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.75 -37.2 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -109.2 -67.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 110.974 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -46.96 162.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 pt -53.27 -27.94 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.82 10.96 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 49.11 52.47 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -127.31 159.83 33.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.95 155.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.7 p -82.53 91.3 6.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -126.94 173.91 9.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.51 -174.11 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.37 116.17 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.42 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 24.9 mtp -120.83 144.21 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.557 HG23 ' CE3' ' A' ' 47' ' ' TRP . 7.6 p -113.28 105.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.56 124.85 30.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -50.42 133.78 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 6.0 m-20 -54.44 -25.71 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -92.32 103.97 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -54.4 -32.89 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -59.3 -22.34 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.16 133.98 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.68 34.45 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.246 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.503 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 45.6 mt -105.7 -46.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.6 tt0 44.21 26.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -163.93 107.04 0.95 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CE2' HD12 ' A' ' 29' ' ' ILE . 22.9 m-85 -128.82 148.47 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.42 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 25.0 m170 -73.71 154.62 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.32 -39.52 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.61 -25.59 71.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.4 m -77.52 -40.38 42.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 m -92.7 -20.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.46 70.48 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -132.74 88.4 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.8 p -50.32 -35.42 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -146.15 -178.53 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 129.32 94.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.704 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 54.0 Cg_endo -69.71 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.6 mtpm? -37.67 -51.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.24 -161.43 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -77.82 138.32 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CE3' HG23 ' A' ' 20' ' ' VAL . 91.6 t90 -123.81 143.06 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 86.9 m-85 -135.61 120.25 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.434 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.9 p -44.91 155.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.78 -10.8 29.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.3 mt-30 -81.72 -30.32 32.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -87.26 -58.31 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.0 m -44.38 -34.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.44 66.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.57 -48.95 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.1 mtm -57.3 -39.14 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 mttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.7 -67.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 110.915 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.62 162.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -52.82 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.76 10.87 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 48.52 54.16 10.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -127.08 160.52 30.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.12 159.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -87.35 92.66 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -128.24 172.34 11.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.17 -164.28 6.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.15 113.48 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.564 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 22.4 mtp -116.92 143.85 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG11 ' CZ3' ' A' ' 47' ' ' TRP . 11.0 p -109.81 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.89 120.62 16.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -46.43 130.86 10.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -25.6 26.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.2 104.71 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -55.52 -32.54 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.76 -20.61 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -53.15 134.3 50.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.39 32.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.506 HD13 ' CE2' ' A' ' 32' ' ' PHE . 44.2 mt -105.27 -49.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.4 tt0 48.23 28.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.1 m95 -164.95 105.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.506 ' CE2' HD13 ' A' ' 29' ' ' ILE . 26.0 m-85 -128.7 147.25 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 26.4 m170 -72.58 156.37 39.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.52 -36.32 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.02 -27.24 60.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.8 m -76.02 -37.54 58.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -93.79 -26.18 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.2 68.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -130.08 81.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -43.46 -31.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -148.22 -179.04 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.82 91.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.79 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -57.6 -50.96 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.33 -155.78 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -83.45 134.4 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CZ3' HG11 ' A' ' 20' ' ' VAL . 91.6 t90 -121.66 132.36 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -128.73 118.77 23.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 8.7 p -43.88 156.06 0.31 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.1 Cg_endo -69.81 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.465 ' NE2' HD12 ' A' ' 29' ' ' ILE . 2.9 mt-30 -82.05 -29.17 32.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.3 m -87.3 -58.16 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.4 m -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.28 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.36 -44.47 44.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.77 -37.06 80.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.55 -71.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.5 t -46.31 163.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.484 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 7.0 pt -54.44 -25.77 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.6 p -81.49 10.44 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.54 49.14 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -125.92 155.33 41.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.89 159.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -83.61 97.79 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -133.67 171.56 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.5 -165.53 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.23 113.11 8.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.491 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 25.6 mtp -117.28 142.15 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -106.08 105.57 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.33 120.99 19.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.5 t -51.64 124.19 11.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 12.8 m-20 -44.23 -34.83 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -80.82 104.75 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -57.21 -30.26 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.98 -25.15 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 t -43.55 133.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.685 0.755 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -15.43 36.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.52 HD13 ' CE2' ' A' ' 32' ' ' PHE . 20.9 mt -112.4 -51.69 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.6 tt0 52.54 25.25 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.03 106.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE2' HD13 ' A' ' 29' ' ' ILE . 24.4 m-85 -129.19 144.0 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 30.9 m170 -68.92 153.23 44.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -25.73 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 m -78.35 -35.34 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 38' ' ' GLY . 29.7 m -96.94 -24.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' N ' HG21 ' A' ' 37' ' ' VAL . . . 92.24 74.85 1.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 mt -140.54 131.25 25.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.4 p -89.7 -34.59 16.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -149.97 -176.39 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 123.4 85.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -44.19 -52.8 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.2 -149.28 0.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -100.08 132.44 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -119.93 133.09 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 70.8 m-85 -127.15 118.61 24.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -41.63 156.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.484 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 16.7 mt-30 -82.65 -28.35 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.4 m -88.57 -57.24 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.3 m -44.74 -30.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.01 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.51 -46.63 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.7 mtp -57.71 -37.51 73.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -114.55 -69.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.65 163.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 pt -53.88 -26.74 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.15 10.67 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 52.07 52.67 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -128.23 156.64 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.9 165.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 p -85.67 96.76 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.93 162.83 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.98 -175.48 7.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -65.16 107.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.57 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 20.9 mtp -112.33 140.63 46.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.565 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 10.2 p -106.31 107.62 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.71 130.45 31.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.54 120.39 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 28.7 t70 -42.37 -35.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -80.66 102.83 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -56.5 -30.79 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -60.09 -19.98 55.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.99 134.68 58.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.433 HD11 ' NE2' ' A' ' 51' ' ' GLN . 27.2 mt -106.04 -54.48 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.3 tt0 50.74 28.77 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 m95 -165.52 105.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 32' ' ' PHE . 4.1 m-85 -129.18 145.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.57 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 22.7 m170 -70.79 151.0 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.04 -37.37 83.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.96 -25.14 67.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 m -76.91 -40.27 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -91.5 -25.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.91 69.0 1.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.7 mt -130.41 84.73 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.7 p -47.44 -27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -154.1 -179.98 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.74 130.69 92.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.68 9.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -58.8 -56.48 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.33 -150.84 6.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -89.63 127.14 35.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ3' HG13 ' A' ' 20' ' ' VAL . 91.4 t90 -103.54 133.94 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 79.7 m-85 -125.9 117.26 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.4 p -41.8 156.04 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.74 -11.11 30.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' NE2' HD11 ' A' ' 29' ' ' ILE . 17.9 mt-30 -82.4 -27.87 31.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -90.24 -56.55 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.442 ' CG2' ' HE2' ' A' ' 57' ' ' LYS . 39.6 m -47.13 -30.13 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.73 -41.15 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.65 48.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.9 mtm -56.68 -39.6 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 53' ' ' THR . 37.4 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -104.69 -69.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.981 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.1 t -44.98 162.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -54.26 -23.46 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.41 11.99 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 m120 49.0 53.91 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -127.92 160.27 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.72 153.74 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -80.43 86.38 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -122.95 175.02 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.74 -179.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.34 110.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.562 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 20.1 mtp -114.11 142.39 46.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG22 ' CE3' ' A' ' 47' ' ' TRP . 2.7 p -104.94 108.58 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.01 119.09 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -53.28 132.34 38.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.2 t0 -56.51 -38.25 71.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.94 101.73 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -59.74 -16.83 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.71 -8.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.01 134.78 95.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.75 37.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.412 HD11 ' NE2' ' A' ' 51' ' ' GLN . 31.1 mt -109.13 -52.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.603 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.9 mt-10 60.82 24.98 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.603 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -164.89 129.79 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 29.5 m-85 -145.02 142.62 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 23.5 m170 -71.54 146.9 48.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -65.12 -34.64 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -28.3 57.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 m -75.53 -38.5 59.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.24 -23.01 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.8 72.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.95 109.74 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -68.74 -38.58 80.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.04 166.65 24.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.85 129.9 78.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 109.99 2.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -49.63 -54.36 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.14 -151.38 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -93.13 131.29 38.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CE3' HG22 ' A' ' 20' ' ' VAL . 82.6 t90 -115.78 131.47 56.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.5 m-85 -119.81 119.24 33.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.5 p -44.64 156.49 0.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.75 -11.27 30.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.412 ' NE2' HD11 ' A' ' 29' ' ' ILE . 2.0 mt-30 -81.1 -30.21 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.8 m -88.69 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -45.88 -33.91 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.47 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.02 -44.36 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.6 mtm -64.4 -33.47 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -126.39 -70.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.962 0.411 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.57 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 9.9 pt -55.72 -19.54 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -88.67 11.38 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 50.89 51.96 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -126.49 158.0 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.38 155.17 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -81.44 92.62 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -128.37 176.26 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.87 112.28 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.566 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 24.5 mtp -115.69 141.79 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.566 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.1 p -105.76 106.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.14 129.17 43.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.23 116.78 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.541 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 24.1 t70 -40.46 -39.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -71.29 101.73 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.81 -19.93 53.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.65 -6.68 50.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -62.91 134.14 95.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.91 36.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.3 mt -113.21 -48.95 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 11.3 mt-10 57.9 25.02 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.16 128.23 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 21.8 m-85 -144.37 141.86 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 28.9 m170 -70.42 150.07 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.06 -32.29 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.71 -28.64 46.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.6 m -75.62 -34.11 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 m -96.43 -22.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.59 75.52 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 mt -142.98 114.49 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -70.86 -33.95 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -149.34 -179.53 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.99 128.63 93.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 114.91 3.87 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.11 -60.16 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.27 -155.87 5.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -86.73 136.42 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CE3' HG21 ' A' ' 20' ' ' VAL . 83.8 t90 -117.78 140.55 49.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 97.3 m-85 -132.4 124.09 28.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.496 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -47.87 155.85 0.78 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.4 Cg_endo -69.84 -10.84 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 15.5 mt-30 -81.37 -30.6 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 51.7 m -87.93 -58.16 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.409 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 60.7 m -44.41 -31.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.93 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.16 -45.09 43.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.2 -37.99 84.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' NZ ' HG22 ' A' ' 53' ' ' THR . 11.4 mtmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -104.63 -68.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.23 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 pt -54.67 -27.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -81.48 11.7 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 48.92 52.07 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -126.17 158.56 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.97 155.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -78.7 92.32 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -127.75 175.2 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.2 117.61 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.442 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 22.8 mtp -120.98 142.74 49.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 47' ' ' TRP . 3.1 p -112.57 107.23 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.02 129.7 35.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.62 124.82 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t70 -44.73 -37.92 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.46 101.26 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.6 -30.37 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.18 -23.15 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.88 134.34 21.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.682 0.754 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.38 36.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.562 HD12 ' CE2' ' A' ' 32' ' ' PHE . 49.7 mt -106.23 -54.04 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.5 tt0 48.05 27.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.3 m95 -164.97 104.98 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 29' ' ' ILE . 23.0 m-85 -128.28 152.14 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.442 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.5 m170 -77.03 153.24 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -69.35 -39.15 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.73 -23.55 74.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 m -77.93 -41.82 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.08 -21.93 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 71.37 1.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 47' ' ' TRP . 18.9 mt -133.52 84.42 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -47.83 -26.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.87 172.26 18.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.34 130.8 89.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.81 96.26 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -33.95 -58.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.72 -140.38 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -100.21 135.94 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 20' ' ' VAL . 72.9 t90 -119.37 137.59 53.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 91.7 m-85 -128.53 126.09 39.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.557 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.1 p -47.82 155.85 0.77 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -10.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -81.3 -30.66 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.7 m -88.28 -56.41 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -46.43 -34.31 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.39 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.5 -47.33 41.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.1 mtm -58.07 -38.08 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.36 -70.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.41 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.2 t -42.56 164.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 9.3 pt -58.05 -19.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -88.94 12.68 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 49.59 50.3 18.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -124.98 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.99 155.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -83.04 92.07 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -129.9 175.71 8.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.35 -164.16 5.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.68 110.36 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.584 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 18.5 mtp -114.11 139.56 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 9.9 p -101.54 108.96 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.47 125.01 30.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.8 125.55 24.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 48.8 t0 -49.81 -40.08 40.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -72.69 101.33 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -58.7 -19.04 36.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.55 -8.7 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.76 134.23 95.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.48 37.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mt -108.24 -52.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.605 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.6 mt-10 61.51 25.03 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.605 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.1 m95 -165.16 130.75 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 38.7 m-85 -145.76 140.2 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.584 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 22.2 m170 -69.07 145.7 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.94 -34.73 78.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.8 -27.12 59.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 m -75.8 -38.65 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 38' ' ' GLY . 28.0 m -91.24 -25.74 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 92.43 72.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -140.42 113.92 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -75.35 -17.08 60.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -162.04 -177.02 5.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.0 127.08 92.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.86 98.06 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 mtpm? -36.25 -54.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -154.68 6.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -91.45 133.39 35.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.3 t90 -115.72 139.95 49.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -131.2 122.37 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -46.05 155.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.7 Cg_endo -69.72 -11.24 30.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 15.2 mt-30 -81.35 -29.34 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.5 m -90.11 -56.9 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -47.57 -29.12 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.19 -43.28 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.84 -50.28 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.9 mtm -56.44 -38.23 71.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -119.32 -68.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -46.4 162.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -54.38 -23.67 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -84.46 10.92 9.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 49.74 52.24 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -126.42 159.97 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.97 155.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -82.09 91.68 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -127.89 175.03 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.64 -160.63 6.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.64 113.65 17.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.574 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 17.1 mtp -116.46 136.72 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.554 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 13.8 p -99.93 108.9 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 121.51 22.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.6 t -57.47 121.64 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t0 -48.11 -35.53 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -77.17 100.98 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.52 -21.8 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.11 -7.46 41.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -65.57 134.48 95.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -17.53 37.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.7 mt -108.63 -52.32 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 17.8 mt-10 61.54 24.98 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.8 m95 -164.36 128.96 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 9.7 m-85 -145.67 141.1 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.5 m170 -69.86 148.66 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.04 -34.01 77.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.83 -29.71 50.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 m -74.98 -35.19 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.9 m -94.85 -24.6 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.76 74.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 mt -141.55 118.09 10.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.5 p -75.15 -38.62 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.02 176.45 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 127.98 92.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.43 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -41.41 -49.65 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.3 -144.81 1.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -103.15 127.6 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.3 t90 -111.09 151.48 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.0 m-85 -142.97 121.23 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.1 p -47.01 156.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.7 -11.12 30.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.13 -30.96 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.01 -57.1 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.2 m -45.15 -37.12 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.1 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.82 30.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.0 mtm -62.42 -38.79 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -114.64 -72.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -42.04 163.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 pt -54.86 -22.53 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -86.12 12.11 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 m120 49.2 48.08 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.76 160.73 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.93 159.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 p -85.03 89.82 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -125.2 175.22 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.09 -173.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.2 116.86 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.577 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 27.4 mtp -119.01 137.48 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 9.3 p -100.27 109.64 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.94 119.81 12.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.63 130.26 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 23.1 t70 -54.78 -37.52 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -73.26 103.28 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.52 -18.48 59.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.73 -7.02 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.46 134.05 95.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.59 35.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -104.32 -52.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.595 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-10 58.74 25.03 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.96 127.91 2.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -145.58 143.85 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.577 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 23.2 m170 -71.84 151.13 43.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.02 -34.28 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.56 -29.09 53.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.7 m -74.85 -36.6 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.9 m -93.12 -24.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 74.02 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -141.78 113.12 7.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -71.96 -36.37 69.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 174.19 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.18 123.33 77.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.575 0.702 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.25 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -48.58 -55.13 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.51 -158.06 3.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.86 133.26 35.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 70.6 t90 -116.25 136.44 53.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 90.0 m-85 -124.78 122.06 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.4 p -46.31 156.3 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.71 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -81.27 -30.52 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.48 -56.91 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -46.32 -31.44 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.46 -39.82 52.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -47.39 57.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.8 mtm -56.96 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.07 -73.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.39 163.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.5 pt -53.96 -26.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -81.62 11.05 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 49.26 51.47 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.85 160.44 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.11 160.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -84.04 91.2 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -128.89 169.27 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.76 176.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -59.11 107.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 23.5 mtp -107.94 144.53 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' CH2' ' A' ' 47' ' ' TRP . 7.5 p -107.81 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.55 132.82 35.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.09 121.39 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 14.7 m-20 -42.39 -27.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -91.26 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.5 -29.73 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.89 -18.6 60.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.5 t -53.74 134.01 55.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -17.68 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.564 HD11 ' CE2' ' A' ' 32' ' ' PHE . 14.7 mt -110.6 -46.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.9 tt0 45.53 27.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -164.19 111.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 29' ' ' ILE . 25.0 m-85 -134.42 146.16 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 26.0 m170 -70.29 151.55 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.1 -33.29 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.75 -27.01 55.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.55 -34.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.82 -26.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.33 75.07 1.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -143.18 140.67 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.4 p -102.65 -17.67 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.43 162.6 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.62 126.46 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -40.41 -51.65 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.34 -146.07 2.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.52 135.62 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.469 ' CH2' HG12 ' A' ' 20' ' ' VAL . 88.8 t90 -121.68 138.37 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 87.4 m-85 -133.93 123.0 23.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 10.2 p -46.6 155.74 0.56 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.74 -10.84 29.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -81.52 -30.33 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.9 m -87.67 -58.23 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -44.25 -33.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.19 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.4 -44.74 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtm -62.12 -36.14 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -113.32 -74.75 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -46.74 162.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 pt -53.15 -29.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -78.11 9.58 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 m120 53.33 49.54 19.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -126.55 157.18 39.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -55.84 163.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 m -85.72 95.85 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -127.28 172.05 10.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.2 -178.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.92 116.79 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.49 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 26.4 mtp -119.84 141.7 49.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG23 ' CE3' ' A' ' 47' ' ' TRP . 7.3 p -105.75 105.48 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.43 125.87 29.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.6 t -55.04 125.79 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -47.84 -30.56 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -84.39 102.8 13.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -55.44 -31.53 62.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -24.57 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.51 134.06 7.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -19.99 35.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 38.3 mt -107.53 -51.53 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.0 tt0 49.58 26.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.2 m95 -164.46 106.22 0.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.445 ' N ' ' HE2' ' A' ' 19' ' ' MET . 7.1 m-85 -128.76 145.9 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.49 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 23.8 m170 -71.6 150.64 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.85 -33.55 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.16 -25.23 59.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.0 m -78.07 -36.38 48.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 38' ' ' GLY . 17.0 m -94.54 -23.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 37' ' ' VAL . . . 90.42 73.6 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -140.17 109.24 6.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -67.52 -38.35 84.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -140.77 -177.63 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.93 131.92 87.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 113.01 3.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -52.52 -49.73 64.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -154.67 24.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -84.66 140.9 31.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.563 ' CE3' HG23 ' A' ' 20' ' ' VAL . 90.6 t90 -123.97 139.44 53.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -130.43 120.03 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 11.3 p -45.17 156.11 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.665 0.745 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.79 -10.73 29.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.462 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.6 mt-30 -81.59 -31.04 32.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.3 m -85.96 -56.56 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.7 m -44.44 -39.26 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.37 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.71 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.0 mtp -61.81 -36.41 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 mttp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.21 -71.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -43.91 163.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -54.33 -25.55 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.56 11.19 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 49.7 51.47 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.58 159.72 31.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.01 156.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -83.09 93.19 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -131.34 174.45 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.04 -169.94 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -70.61 107.91 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.572 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 19.3 mtp -111.29 141.87 44.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 7.5 p -107.14 106.84 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.19 128.35 41.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.52 125.7 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.8 t0 -49.18 -36.27 19.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -76.04 102.66 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -61.59 -18.55 59.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -75.91 -4.35 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 t -67.37 134.85 93.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.71 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.425 HD12 ' NE2' ' A' ' 51' ' ' GLN . 37.7 mt -105.3 -52.79 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 14.1 mt-10 59.08 25.02 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.27 127.53 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 27.5 m-85 -145.26 139.89 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.572 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 25.4 m170 -69.32 152.51 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.52 -36.43 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.9 -27.45 60.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 m -75.93 -36.94 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.6 m -94.42 -20.32 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 68.2 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.8 mt -129.43 86.79 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.1 p -50.37 -30.96 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -149.86 162.82 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.25 133.22 60.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -47.41 -53.63 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.35 -149.87 14.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -89.37 129.87 35.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CZ3' HG13 ' A' ' 20' ' ' VAL . 85.0 t90 -110.4 143.27 40.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.6 m-85 -128.58 119.12 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.6 p -44.86 156.28 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.7 -11.04 30.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' NE2' HD12 ' A' ' 29' ' ' ILE . 2.8 mt-30 -81.65 -29.38 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.7 m -88.75 -57.35 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.466 ' CG2' ' HE3' ' A' ' 57' ' ' LYS . 88.8 m -45.2 -29.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.48 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.05 -45.07 59.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.6 mtm -64.24 -40.36 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 53' ' ' THR . 46.2 mttt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -108.04 -68.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 110.941 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.12 163.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 pt -53.68 -24.19 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.8 p -84.77 11.74 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 48.27 50.08 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -123.52 161.5 24.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.4 m -55.98 155.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -80.74 87.75 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -126.58 174.95 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.92 177.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -59.12 106.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.553 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 20.9 mtp -107.43 143.92 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.2 p -110.48 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.4 127.15 39.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.08 125.48 23.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.5 t70 -48.11 -37.68 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.05 102.33 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.61 -22.73 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -69.47 -8.1 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 t -64.36 134.64 96.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.83 34.39 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 ' CE2' ' A' ' 32' ' ' PHE . 17.6 mt -101.84 -53.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.588 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 13.2 mt-10 59.18 25.0 13.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.588 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.4 125.24 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.51 ' CE2' HD11 ' A' ' 29' ' ' ILE . 46.7 m-85 -145.64 138.06 25.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 20.7 m170 -67.11 148.83 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -66.7 -33.2 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.97 -28.44 54.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.0 m -74.96 -35.73 62.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.8 m -93.47 -25.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.66 72.66 1.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 47' ' ' TRP . 60.5 mt -141.3 124.22 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -81.41 -39.49 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.17 160.41 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.51 127.07 7.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 99.69 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -43.68 -48.72 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.14 -144.54 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -103.52 126.85 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 20' ' ' VAL . 86.5 t90 -110.46 135.37 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 94.0 m-85 -128.65 117.17 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.9 p -43.13 156.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.73 -10.88 29.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 112.392 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -82.05 -29.26 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -88.81 -55.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -46.29 -36.36 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.89 88.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 -42.44 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.4 mtm -65.63 -40.04 92.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -118.84 -75.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -41.45 163.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 9.8 pt -54.99 -26.58 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.95 10.77 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 50.21 51.1 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -126.42 160.8 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.09 163.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -88.29 89.99 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -122.83 175.68 6.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.4 -176.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.8 114.81 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.566 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 25.8 mtp -116.3 149.4 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' CE3' ' A' ' 47' ' ' TRP . 2.4 p -117.13 108.32 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 121.18 15.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 t -46.55 137.2 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 7.6 t70 -59.1 -29.07 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -82.19 116.3 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.83 -11.68 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.79 2.12 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.16 135.38 91.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.94 33.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.2 mt -115.47 -55.17 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 27.6 mt-10 63.18 25.02 14.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.2 m95 -164.04 125.03 2.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 23.8 m-85 -143.04 139.84 30.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.9 m170 -68.86 151.22 46.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -68.8 -35.69 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.26 -25.89 62.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 m -77.33 -38.76 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 m -94.88 -19.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.82 72.33 1.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -133.48 81.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -43.13 -29.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -155.77 179.96 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.93 134.4 92.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.9 Cg_endo -69.73 100.1 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -34.3 -61.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.29 -142.81 6.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 140.15 29.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CE3' HG22 ' A' ' 20' ' ' VAL . 88.5 t90 -121.41 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -126.22 117.76 23.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.4 p -42.27 156.01 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.69 -10.66 29.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.47 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 16.8 mt-30 -82.95 -28.26 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.0 m -88.75 -57.03 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -46.74 -28.63 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -39.22 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.57 -48.27 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.5 mtm -56.88 -39.09 73.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -99.92 -68.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.948 0.404 . . . . 0.0 110.969 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.37 162.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -53.76 -28.01 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -80.65 11.21 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m120 47.43 54.18 9.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.16 154.51 45.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 m -56.15 155.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -79.73 116.79 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -137.67 177.72 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.87 -135.83 5.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 12.6 mt-10 -102.68 116.13 31.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.563 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 21.1 mtp -111.15 144.43 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 9.2 p -108.34 109.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.0 135.44 22.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 t -65.99 126.27 28.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 13.0 t70 -48.52 -34.72 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.43 100.94 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -56.03 -24.25 38.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -22.96 64.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.94 133.93 14.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -19.51 36.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 36.8 mt -109.58 -51.16 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.2 tt0 48.12 29.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -165.47 110.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -131.71 159.6 37.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 32.9 m170 -84.58 151.93 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 3.0 m-85 -68.76 -32.33 72.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.03 -30.08 39.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.559 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -74.37 -33.32 63.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.8 m -96.66 -26.7 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.77 74.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -140.31 111.19 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.6 p -70.18 -32.76 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.85 159.7 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.42 126.93 6.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.08 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -42.98 -57.16 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.08 -156.86 3.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 137.77 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.481 ' CZ3' HG13 ' A' ' 20' ' ' VAL . 89.8 t90 -122.01 138.7 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 90.2 m-85 -131.3 120.26 22.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.461 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.2 p -43.29 155.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.402 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.8 mt-30 -82.1 -28.82 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.3 m -89.73 -55.31 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 m -46.6 -30.47 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -40.51 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.14 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -62.98 -39.9 96.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -103.84 -71.92 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.11 162.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -54.38 -22.96 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -85.91 11.92 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 48.53 51.26 15.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.43 159.82 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -55.97 155.46 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.5 p -81.13 92.67 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.42 174.72 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.99 -176.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.21 114.34 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.522 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 23.7 mtp -116.45 141.62 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 8.4 p -108.66 106.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.0 121.56 21.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.7 119.91 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -42.43 -36.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -79.46 102.68 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -57.53 -28.61 63.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.94 -17.08 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 t -53.78 134.29 56.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.26 34.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 HD11 ' NE2' ' A' ' 51' ' ' GLN . 28.5 mt -113.68 -50.17 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.4 mt-10 56.64 25.02 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -163.99 124.35 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 3.3 m-85 -144.92 141.2 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 20.8 m170 -69.13 149.11 49.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.48 -32.77 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.1 53.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.7 -36.1 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 m -96.71 -26.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.23 74.86 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.3 mt -138.77 112.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.0 p -73.3 -37.03 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.46 158.8 44.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 127.77 3.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.02 4.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -55.96 -53.78 52.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.06 -145.34 2.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -99.03 128.02 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.476 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.9 t90 -108.77 141.76 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -135.0 116.4 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 12.0 p -40.67 155.83 0.19 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.85 -8.4 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.408 ' NE2' HD11 ' A' ' 29' ' ' ILE . 3.2 mt-30 -85.52 -30.79 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 m -86.76 -62.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -42.02 -35.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 53' ' ' THR . . . -72.93 -42.82 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.9 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.1 mtm -59.66 -39.57 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 mttm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -106.1 112.85 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -127.32 163.75 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.19 -56.25 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 p -91.16 145.26 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -80.89 -9.77 59.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.19 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -120.46 -70.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.55 162.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 8.4 pt -54.2 -29.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.55 7.67 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m120 55.68 44.59 26.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -123.59 160.8 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.99 162.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.6 m -88.74 89.16 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -122.25 177.56 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.39 179.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 113.63 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.451 ' HE3' ' N ' ' A' ' 32' ' ' PHE . 28.0 mtp -117.14 149.13 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.555 HG23 ' CE3' ' A' ' 47' ' ' TRP . 6.6 p -113.07 110.73 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.36 121.67 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.08 132.78 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -53.66 -34.06 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -79.82 102.17 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.99 -21.69 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -48.81 134.15 14.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -19.01 36.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.498 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 33.8 mt -108.34 -53.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.7 tt0 51.62 25.86 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.15 107.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.498 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 5.6 m-85 -128.75 143.95 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 28.0 m170 -69.36 154.78 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -72.64 -36.73 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.15 -26.27 64.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -76.66 -39.61 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -92.01 -24.11 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 69.16 1.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' CD1' ' A' ' 47' ' ' TRP . 14.5 mt -131.48 79.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -42.14 -28.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.62 156.95 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.19 134.55 4.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 122.17 8.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -53.52 -51.58 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.2 -148.36 22.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -85.66 132.93 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CE3' HG23 ' A' ' 20' ' ' VAL . 74.2 t90 -117.53 129.83 56.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 82.7 m-85 -121.61 123.89 43.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.511 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -45.5 155.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -10.92 29.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 22.4 mt-30 -81.72 -29.5 32.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.2 m -44.53 -32.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.07 -38.36 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.77 -44.46 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -36.35 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -60.64 -43.52 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -66.69 -41.9 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -63.6 -32.18 73.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.68 -103.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.1 p -65.82 142.88 57.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 65.3 41.44 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -73.48 81.0 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -131.97 95.01 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -122.37 84.2 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.85 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 139.17 39.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.0 m -92.64 103.44 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -148.2 136.88 21.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -125.03 134.14 52.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -67.48 175.59 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.63 -154.28 30.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -158.42 165.64 34.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -87.56 167.64 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.39 109.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.532 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -98.71 -68.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.3 t -45.49 162.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 pt -53.08 -28.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -81.28 11.29 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 48.37 51.97 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -127.15 153.78 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.21 148.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -74.22 113.33 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -139.06 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.29 -162.18 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.74 112.38 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 33' ' ' HIS . 45.3 mmm -114.8 149.04 37.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG12 ' CZ3' ' A' ' 47' ' ' TRP . 14.5 p -112.82 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.47 131.2 24.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 t -60.45 126.43 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.572 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.2 t70 -49.7 -36.18 24.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -78.78 100.3 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -53.24 -31.39 43.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.2 -24.05 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.32 134.07 17.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -21.03 33.92 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mt -108.68 -51.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.3 tt0 49.8 28.23 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.0 m95 -164.48 112.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.494 ' N ' ' CD1' ' A' ' 32' ' ' PHE . 1.3 m-85 -135.77 145.96 47.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.598 ' CD2' ' SD ' ' A' ' 19' ' ' MET . 32.4 m80 -67.09 157.93 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.84 -32.73 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.91 -25.95 47.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 m -75.04 -34.07 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.1 m -99.92 -22.55 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.6 74.45 1.28 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -134.88 80.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -41.34 -37.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.02 -179.92 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.52 136.59 90.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.99 4.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -62.69 -52.26 63.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.39 -132.35 1.65 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -106.09 131.96 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.314 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.4 t90 -115.82 144.6 43.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.1 m-85 -138.36 124.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.0 p -46.92 155.62 0.61 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -81.6 -30.42 32.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.9 m -87.91 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.8 m -44.09 -32.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.05 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.25 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 mtm -57.87 -37.31 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -64.3 -46.62 82.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -54.56 -18.56 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -97.45 25.08 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.52 144.34 4.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.8 p -82.33 43.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -95.26 -52.03 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -75.1 129.11 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -60.3 115.22 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 t -110.64 -55.77 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . -170.49 -144.03 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 54.1 Cg_endo -69.71 -1.62 8.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.402 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.7 t -54.33 128.93 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -106.08 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.52 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -151.67 159.74 43.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -60.88 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.43 68.76 1.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t -160.38 143.14 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -42.88 128.79 4.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.01 109.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -103.86 -67.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -48.51 162.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 pt -53.39 -27.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.85 9.66 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m120 50.13 50.69 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -125.67 160.11 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -55.98 158.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.8 m -84.73 95.77 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -129.13 176.84 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.45 -174.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.21 113.91 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.434 ' HE1' ' N ' ' A' ' 32' ' ' PHE . 25.2 mtp -117.71 142.66 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 10.9 p -108.22 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 128.47 28.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -57.95 125.26 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 t70 -47.71 -32.32 5.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.16 104.12 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.06 -30.18 64.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -23.42 64.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.36 134.07 17.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.69 36.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' CE2' ' A' ' 32' ' ' PHE . 24.8 mt -109.85 -51.25 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 7.9 tt0 48.38 27.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.8 m95 -164.3 108.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CE2' HD12 ' A' ' 29' ' ' ILE . 4.4 m-85 -131.2 152.63 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -77.92 152.71 33.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.89 -33.01 71.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.48 -30.07 46.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.9 m -75.21 -33.33 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m -95.25 -25.42 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.09 74.03 1.26 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -141.94 111.07 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -68.62 -34.92 76.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.46 177.43 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.84 130.27 92.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 101.6 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -46.21 62.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.83 -150.83 7.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -93.81 127.27 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CZ3' HG13 ' A' ' 20' ' ' VAL . 87.5 t90 -114.11 133.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 95.5 m-85 -124.2 120.15 31.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.547 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.0 p -43.94 155.85 0.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.73 -10.92 29.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -81.96 -29.5 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -88.01 -56.79 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.6 m -44.53 -33.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 -41.0 74.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.05 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.54 -45.19 47.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.75 -37.2 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -63.5 -42.29 98.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -48.82 -47.4 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -59.71 -31.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.96 177.22 24.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -68.92 92.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -140.77 173.31 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -112.92 40.95 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -77.09 156.5 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.2 p -98.42 -178.48 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.06 141.4 15.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.77 -8.52 23.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' PRO . 6.2 t -36.35 105.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -103.17 136.23 43.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.168 -0.795 . . . . 0.0 112.453 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -88.18 147.25 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -125.95 169.9 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.31 -149.27 17.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 50.13 40.79 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 124.95 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.04 119.09 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -109.2 -67.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 110.974 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -46.96 162.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 pt -53.27 -27.94 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.82 10.96 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 49.11 52.47 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -127.31 159.83 33.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.95 155.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.7 p -82.53 91.3 6.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -126.94 173.91 9.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.51 -174.11 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.37 116.17 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.42 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 24.9 mtp -120.83 144.21 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.557 HG23 ' CE3' ' A' ' 47' ' ' TRP . 7.6 p -113.28 105.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.56 124.85 30.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -50.42 133.78 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 6.0 m-20 -54.44 -25.71 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -92.32 103.97 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -54.4 -32.89 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -59.3 -22.34 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.16 133.98 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.68 34.45 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.246 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.503 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 45.6 mt -105.7 -46.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.6 tt0 44.21 26.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -163.93 107.04 0.95 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' CE2' HD12 ' A' ' 29' ' ' ILE . 22.9 m-85 -128.82 148.47 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.42 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 25.0 m170 -73.71 154.62 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.32 -39.52 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.61 -25.59 71.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.4 m -77.52 -40.38 42.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 m -92.7 -20.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.46 70.48 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -132.74 88.4 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.8 p -50.32 -35.42 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -146.15 -178.53 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 129.32 94.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.704 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 54.0 Cg_endo -69.71 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.6 mtpm? -37.67 -51.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.24 -161.43 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -77.82 138.32 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CE3' HG23 ' A' ' 20' ' ' VAL . 91.6 t90 -123.81 143.06 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 86.9 m-85 -135.61 120.25 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.9 p -44.91 155.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.78 -10.8 29.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.3 mt-30 -81.72 -30.32 32.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -87.26 -58.31 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.0 m -44.38 -34.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.44 66.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.57 -48.95 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.1 mtm -57.3 -39.14 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -66.95 -44.91 79.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -55.18 -26.59 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -96.04 24.41 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.84 -150.51 5.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -161.94 131.09 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -129.54 80.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -119.61 95.6 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.8 40.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.0 t -109.02 177.48 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.73 139.58 3.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 127.23 14.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.246 . . . . 0.0 112.383 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 p -89.37 90.95 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -84.63 -49.71 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -120.27 41.87 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -135.4 131.98 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.35 92.16 1.5 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 m -132.28 169.88 15.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -107.02 164.83 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.63 107.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.7 -67.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 110.915 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.62 162.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -52.82 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.76 10.87 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 48.52 54.16 10.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -127.08 160.52 30.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.12 159.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -87.35 92.66 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -128.24 172.34 11.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.17 -164.28 6.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.15 113.48 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.564 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 22.4 mtp -116.92 143.85 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG11 ' CZ3' ' A' ' 47' ' ' TRP . 11.0 p -109.81 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.89 120.62 16.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -46.43 130.86 10.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -25.6 26.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -92.2 104.71 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -55.52 -32.54 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.76 -20.61 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -53.15 134.3 50.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.39 32.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.506 HD13 ' CE2' ' A' ' 32' ' ' PHE . 44.2 mt -105.27 -49.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.4 tt0 48.23 28.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.1 m95 -164.95 105.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.506 ' CE2' HD13 ' A' ' 29' ' ' ILE . 26.0 m-85 -128.7 147.25 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 26.4 m170 -72.58 156.37 39.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.52 -36.32 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.02 -27.24 60.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.8 m -76.02 -37.54 58.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -93.79 -26.18 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.2 68.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -130.08 81.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -43.46 -31.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -148.22 -179.04 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.82 91.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.79 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -57.6 -50.96 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.33 -155.78 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -83.45 134.4 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.567 ' CZ3' HG11 ' A' ' 20' ' ' VAL . 91.6 t90 -121.66 132.36 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -128.73 118.77 23.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 8.7 p -43.88 156.06 0.31 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.1 Cg_endo -69.81 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.465 ' NE2' HD12 ' A' ' 29' ' ' ILE . 2.9 mt-30 -82.05 -29.17 32.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.3 m -87.3 -58.16 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.4 m -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.28 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.36 -44.47 44.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.77 -37.06 80.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -62.79 -44.69 95.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -46.48 -46.47 19.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -56.1 -32.2 63.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.78 -98.05 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.8 m -141.0 120.4 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -169.77 154.34 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -64.47 141.63 58.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -82.57 143.12 31.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -40.94 125.63 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.96 177.06 48.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 86.89 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -50.87 117.2 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 t -96.18 145.71 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.506 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -89.25 -175.71 4.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 54.62 52.38 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.57 121.52 4.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -44.19 -49.88 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 7' ' ' GLY . 3.3 m -124.3 -11.95 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 40.57 94.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.55 -71.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.5 t -46.31 163.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 7.0 pt -54.44 -25.77 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.6 p -81.49 10.44 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.54 49.14 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -125.92 155.33 41.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.89 159.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -83.61 97.79 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -133.67 171.56 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.5 -165.53 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.23 113.11 8.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.491 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 25.6 mtp -117.28 142.15 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -106.08 105.57 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.33 120.99 19.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.5 t -51.64 124.19 11.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 12.8 m-20 -44.23 -34.83 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -80.82 104.75 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -57.21 -30.26 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.98 -25.15 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 t -43.55 133.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.685 0.755 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -15.43 36.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.52 HD13 ' CE2' ' A' ' 32' ' ' PHE . 20.9 mt -112.4 -51.69 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.6 tt0 52.54 25.25 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.03 106.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CE2' HD13 ' A' ' 29' ' ' ILE . 24.4 m-85 -129.19 144.0 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 30.9 m170 -68.92 153.23 44.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -25.73 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 m -78.35 -35.34 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 38' ' ' GLY . 29.7 m -96.94 -24.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' N ' HG21 ' A' ' 37' ' ' VAL . . . 92.24 74.85 1.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 mt -140.54 131.25 25.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.4 p -89.7 -34.59 16.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -149.97 -176.39 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 123.4 85.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -44.19 -52.8 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.2 -149.28 0.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -100.08 132.44 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.439 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -119.93 133.09 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 70.8 m-85 -127.15 118.61 24.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.439 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -41.63 156.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.484 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 16.7 mt-30 -82.65 -28.35 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.4 m -88.57 -57.24 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.3 m -44.74 -30.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.01 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.51 -46.63 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.7 mtp -57.71 -37.51 73.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -64.94 -50.17 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -50.2 -46.61 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -56.02 -32.35 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.12 -85.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.5 m -103.31 98.33 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -111.3 156.71 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -121.71 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' SER . 5.0 tmtm? -47.64 -65.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LYS . 6.1 m -36.75 124.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.82 145.67 15.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 173.57 10.76 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 t -117.28 137.22 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -171.78 148.52 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.479 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -97.16 156.43 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -113.21 -48.2 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.14 39.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -76.67 144.8 39.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLY . 35.6 m -98.57 -9.2 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 44.12 95.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.52 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -114.55 -69.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.65 163.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.6 pt -53.88 -26.74 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.15 10.67 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 52.07 52.67 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -128.23 156.64 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.9 165.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 p -85.67 96.76 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.93 162.83 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.98 -175.48 7.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -65.16 107.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.57 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 20.9 mtp -112.33 140.63 46.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.565 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 10.2 p -106.31 107.62 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.71 130.45 31.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.54 120.39 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 28.7 t70 -42.37 -35.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -80.66 102.83 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -56.5 -30.79 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -60.09 -19.98 55.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.99 134.68 58.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.433 HD11 ' NE2' ' A' ' 51' ' ' GLN . 27.2 mt -106.04 -54.48 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.3 tt0 50.74 28.77 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 m95 -165.52 105.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' N ' ' CD1' ' A' ' 32' ' ' PHE . 4.1 m-85 -129.18 145.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.57 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 22.7 m170 -70.79 151.0 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.04 -37.37 83.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.96 -25.14 67.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 m -76.91 -40.27 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -91.5 -25.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.91 69.0 1.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.7 mt -130.41 84.73 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.7 p -47.44 -27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -154.1 -179.98 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.74 130.69 92.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.68 9.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -58.8 -56.48 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.33 -150.84 6.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -89.63 127.14 35.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CZ3' HG13 ' A' ' 20' ' ' VAL . 91.4 t90 -103.54 133.94 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 79.7 m-85 -125.9 117.26 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.4 p -41.8 156.04 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.74 -11.11 30.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' NE2' HD11 ' A' ' 29' ' ' ILE . 17.9 mt-30 -82.4 -27.87 31.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -90.24 -56.55 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.442 ' CG2' ' HE2' ' A' ' 57' ' ' LYS . 39.6 m -47.13 -30.13 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.73 -41.15 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.65 48.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.9 mtm -56.68 -39.6 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 53' ' ' THR . 37.4 mtmt -64.24 -48.43 75.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -43.38 -49.85 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -60.53 -32.24 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -44.33 101.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.9 m -162.18 160.53 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 81.2 mtm-85 -64.12 82.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 62' ' ' ARG . 40.9 m80 -162.77 133.23 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -82.49 104.37 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.4 m -125.44 86.4 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.77 -168.32 22.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.84 26.51 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 98.8 p -57.24 156.66 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.0 p -46.81 -53.73 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.473 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -95.13 141.54 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -103.67 -41.55 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.17 96.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -52.09 157.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 m -160.08 165.14 32.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.97 101.18 0.22 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -104.69 -69.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.981 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.1 t -44.98 162.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -54.26 -23.46 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.41 11.99 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 m120 49.0 53.91 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -127.92 160.27 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.72 153.74 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -80.43 86.38 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -122.95 175.02 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.74 -179.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.34 110.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.562 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 20.1 mtp -114.11 142.39 46.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG22 ' CE3' ' A' ' 47' ' ' TRP . 2.7 p -104.94 108.58 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.01 119.09 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -53.28 132.34 38.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.2 t0 -56.51 -38.25 71.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.94 101.73 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -59.74 -16.83 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.71 -8.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.01 134.78 95.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.75 37.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.412 HD11 ' NE2' ' A' ' 51' ' ' GLN . 31.1 mt -109.13 -52.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.603 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.9 mt-10 60.82 24.98 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.603 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -164.89 129.79 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 29.5 m-85 -145.02 142.62 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 23.5 m170 -71.54 146.9 48.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -65.12 -34.64 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -28.3 57.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 m -75.53 -38.5 59.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.8 m -92.24 -23.01 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.8 72.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.95 109.74 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -68.74 -38.58 80.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.04 166.65 24.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.85 129.9 78.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 109.99 2.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -49.63 -54.36 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.14 -151.38 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -93.13 131.29 38.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CE3' HG22 ' A' ' 20' ' ' VAL . 82.6 t90 -115.78 131.47 56.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.5 m-85 -119.81 119.24 33.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.5 p -44.64 156.49 0.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.75 -11.27 30.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.412 ' NE2' HD11 ' A' ' 29' ' ' ILE . 2.0 mt-30 -81.1 -30.21 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.8 m -88.69 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -45.88 -33.91 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.47 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.02 -44.36 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.6 mtm -64.4 -33.47 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -69.21 -37.68 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -65.74 -64.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -57.77 -25.61 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' N ' ' HD2' ' A' ' 59' ' ' ARG . . . -45.84 104.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -156.6 135.86 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.53 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -106.69 128.09 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -123.31 87.34 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -146.66 172.51 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.38 155.65 8.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -81.54 46.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -70.23 156.14 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.471 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -78.04 167.77 20.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -131.68 140.25 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.89 -131.91 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -115.16 41.9 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -153.65 154.77 34.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.1 143.73 5.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -126.39 -70.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.962 0.411 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.57 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 9.9 pt -55.72 -19.54 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -88.67 11.38 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 50.89 51.96 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -126.49 158.0 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.38 155.17 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -81.44 92.62 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -128.37 176.26 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.87 112.28 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.566 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 24.5 mtp -115.69 141.79 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.566 HG21 ' CE3' ' A' ' 47' ' ' TRP . 2.1 p -105.76 106.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.14 129.17 43.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.23 116.78 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.541 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 24.1 t70 -40.46 -39.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -71.29 101.73 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.81 -19.93 53.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.65 -6.68 50.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -62.91 134.14 95.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.91 36.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.3 mt -113.21 -48.95 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 11.3 mt-10 57.9 25.02 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.16 128.23 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 21.8 m-85 -144.37 141.86 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 28.9 m170 -70.42 150.07 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.06 -32.29 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.71 -28.64 46.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.6 m -75.62 -34.11 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 m -96.43 -22.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.59 75.52 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 mt -142.98 114.49 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -70.86 -33.95 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -149.34 -179.53 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.99 128.63 93.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 114.91 3.87 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.11 -60.16 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.27 -155.87 5.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -86.73 136.42 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CE3' HG21 ' A' ' 20' ' ' VAL . 83.8 t90 -117.78 140.55 49.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 97.3 m-85 -132.4 124.09 28.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.496 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -47.87 155.85 0.78 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.4 Cg_endo -69.84 -10.84 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 15.5 mt-30 -81.37 -30.6 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 51.7 m -87.93 -58.16 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.409 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 60.7 m -44.41 -31.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.93 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.16 -45.09 43.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.2 -37.99 84.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' NZ ' HG22 ' A' ' 53' ' ' THR . 11.4 mtmm -63.73 -47.9 79.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.63 -55.65 8.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 4.6 ptp180 -63.16 -32.52 73.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 59' ' ' ARG . . . -59.92 -106.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -173.34 117.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -76.4 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 66.27 41.79 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -88.82 162.29 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -37.95 129.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.01 -119.7 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -47.04 -52.78 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -108.96 127.26 53.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.525 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.4 t -105.39 86.84 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.4 t -34.93 -60.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 134.31 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -133.48 163.91 28.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 m -84.32 124.43 31.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.63 113.84 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -104.63 -68.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.23 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 pt -54.67 -27.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -81.48 11.7 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 48.92 52.07 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -126.17 158.56 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.97 155.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -78.7 92.32 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -127.75 175.2 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.2 117.61 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 22.8 mtp -120.98 142.74 49.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 47' ' ' TRP . 3.1 p -112.57 107.23 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.02 129.7 35.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.62 124.82 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t70 -44.73 -37.92 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.46 101.26 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.6 -30.37 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.18 -23.15 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.88 134.34 21.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.682 0.754 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.38 36.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.562 HD12 ' CE2' ' A' ' 32' ' ' PHE . 49.7 mt -106.23 -54.04 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.5 tt0 48.05 27.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.3 m95 -164.97 104.98 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 29' ' ' ILE . 23.0 m-85 -128.28 152.14 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.442 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.5 m170 -77.03 153.24 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -69.35 -39.15 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.73 -23.55 74.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 m -77.93 -41.82 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.08 -21.93 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 71.37 1.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 47' ' ' TRP . 18.9 mt -133.52 84.42 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -47.83 -26.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.87 172.26 18.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.34 130.8 89.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.81 96.26 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -33.95 -58.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.72 -140.38 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -100.21 135.94 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 20' ' ' VAL . 72.9 t90 -119.37 137.59 53.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 91.7 m-85 -128.53 126.09 39.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.557 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.1 p -47.82 155.85 0.77 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -10.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -81.3 -30.66 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.7 m -88.28 -56.41 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -46.43 -34.31 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.39 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.5 -47.33 41.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.1 mtm -58.07 -38.08 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -59.73 -51.13 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -62.98 -47.26 83.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' GLY . 33.0 mtp180 -61.54 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' ARG . . . -36.82 -55.39 1.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -63.65 82.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -169.35 177.25 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -127.57 144.36 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -123.22 89.58 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -117.26 101.85 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.46 122.38 3.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.27 22.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.372 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m 62.35 41.53 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 m -129.59 139.35 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.494 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -118.41 109.96 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -128.95 131.25 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.15 -45.88 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -45.74 160.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -96.0 164.24 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.54 111.3 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.36 -70.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.41 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.2 t -42.56 164.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 9.3 pt -58.05 -19.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -88.94 12.68 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 49.59 50.3 18.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -124.98 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -55.99 155.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -83.04 92.07 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -129.9 175.71 8.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.35 -164.16 5.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.68 110.36 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.584 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 18.5 mtp -114.11 139.56 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 9.9 p -101.54 108.96 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.47 125.01 30.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.8 125.55 24.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 48.8 t0 -49.81 -40.08 40.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -72.69 101.33 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -58.7 -19.04 36.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.55 -8.7 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.76 134.23 95.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.48 37.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mt -108.24 -52.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.605 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.6 mt-10 61.51 25.03 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.605 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.1 m95 -165.16 130.75 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 38.7 m-85 -145.76 140.2 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.584 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 22.2 m170 -69.07 145.7 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.94 -34.73 78.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.8 -27.12 59.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 m -75.8 -38.65 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 38' ' ' GLY . 28.0 m -91.24 -25.74 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 92.43 72.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -140.42 113.92 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -75.35 -17.08 60.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -162.04 -177.02 5.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.0 127.08 92.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.86 98.06 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 mtpm? -36.25 -54.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -154.68 6.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -91.45 133.39 35.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.3 t90 -115.72 139.95 49.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -131.2 122.37 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -46.05 155.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.7 Cg_endo -69.72 -11.24 30.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 15.2 mt-30 -81.35 -29.34 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.5 m -90.11 -56.9 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -47.57 -29.12 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.19 -43.28 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.84 -50.28 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.9 mtm -56.44 -38.23 71.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -66.42 -46.98 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -53.37 -54.72 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.15 7.53 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.33 71.36 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -153.44 -177.2 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.6 98.55 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -160.85 130.95 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -46.29 128.92 10.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -96.66 130.52 43.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.17 163.96 21.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.17 3.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -130.0 81.51 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.5 p 39.42 42.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.447 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 p -115.98 166.1 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -48.54 165.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.24 -92.72 1.62 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -113.52 130.7 56.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -148.34 138.83 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.82 132.81 1.87 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -119.32 -68.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -46.4 162.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -54.38 -23.67 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -84.46 10.92 9.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 49.74 52.24 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -126.42 159.97 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.97 155.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -82.09 91.68 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -127.89 175.03 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.64 -160.63 6.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.64 113.65 17.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.574 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 17.1 mtp -116.46 136.72 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.554 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 13.8 p -99.93 108.9 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 121.51 22.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.6 t -57.47 121.64 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t0 -48.11 -35.53 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -77.17 100.98 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.52 -21.8 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.11 -7.46 41.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -65.57 134.48 95.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -17.53 37.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.7 mt -108.63 -52.32 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 17.8 mt-10 61.54 24.98 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.8 m95 -164.36 128.96 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 9.7 m-85 -145.67 141.1 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.5 m170 -69.86 148.66 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.04 -34.01 77.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.83 -29.71 50.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 m -74.98 -35.19 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.9 m -94.85 -24.6 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.76 74.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 mt -141.55 118.09 10.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.5 p -75.15 -38.62 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.02 176.45 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 127.98 92.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.43 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -41.41 -49.65 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.3 -144.81 1.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -103.15 127.6 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.3 t90 -111.09 151.48 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.0 m-85 -142.97 121.23 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.1 p -47.01 156.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.7 -11.12 30.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.13 -30.96 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.01 -57.1 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.2 m -45.15 -37.12 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.1 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.82 30.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.0 mtm -62.42 -38.79 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -62.13 -54.63 38.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -44.09 -59.12 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.86 -32.34 73.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.44 70.23 2.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' ARG . 22.8 m -87.63 170.16 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' SER . 2.7 tpm_? -35.07 133.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -80.46 48.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -113.43 87.49 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 t -107.33 -53.21 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.53 -140.99 7.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.76 24.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.5 p -107.93 120.59 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 t -96.48 132.49 41.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.52 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -123.3 120.37 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.804 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -98.3 169.63 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.24 -46.38 1.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -51.8 118.36 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -115.16 170.27 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.14 113.47 0.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -114.64 -72.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -42.04 163.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 pt -54.86 -22.53 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -86.12 12.11 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 m120 49.2 48.08 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.76 160.73 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.93 159.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 p -85.03 89.82 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -125.2 175.22 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.09 -173.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.2 116.86 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.577 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 27.4 mtp -119.01 137.48 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 9.3 p -100.27 109.64 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.94 119.81 12.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.63 130.26 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 23.1 t70 -54.78 -37.52 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -73.26 103.28 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.52 -18.48 59.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.73 -7.02 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.46 134.05 95.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.59 35.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -104.32 -52.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.595 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-10 58.74 25.03 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.96 127.91 2.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -145.58 143.85 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 23.2 m170 -71.84 151.13 43.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.02 -34.28 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.56 -29.09 53.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.7 m -74.85 -36.6 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.9 m -93.12 -24.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 74.02 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -141.78 113.12 7.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -71.96 -36.37 69.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 174.19 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.18 123.33 77.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.575 0.702 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.25 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -48.58 -55.13 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.51 -158.06 3.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.86 133.26 35.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.566 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 70.6 t90 -116.25 136.44 53.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 90.0 m-85 -124.78 122.06 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.4 p -46.31 156.3 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.71 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -81.27 -30.52 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.48 -56.91 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -46.32 -31.44 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.46 -39.82 52.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -47.39 57.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.8 mtm -56.96 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -64.11 -40.3 95.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -63.7 -36.11 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -87.93 24.95 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.46 -48.41 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 p -141.22 168.31 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.905 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 55.32 50.59 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -165.36 159.77 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.77 119.78 15.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 p -100.55 148.35 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.37 -179.1 17.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 179.1 3.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 t -101.09 82.01 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -64.29 -59.27 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.472 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -170.3 168.2 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -90.81 87.13 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.06 161.06 28.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 m -136.92 158.23 44.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.818 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -74.23 -178.09 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.08 98.47 0.13 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.07 -73.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.39 163.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.5 pt -53.96 -26.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -81.62 11.05 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 49.26 51.47 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.85 160.44 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.11 160.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -84.04 91.2 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -128.89 169.27 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.76 176.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -59.11 107.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 23.5 mtp -107.94 144.53 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' CH2' ' A' ' 47' ' ' TRP . 7.5 p -107.81 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.55 132.82 35.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.09 121.39 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 14.7 m-20 -42.39 -27.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -91.26 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.5 -29.73 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.89 -18.6 60.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.5 t -53.74 134.01 55.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -17.68 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.564 HD11 ' CE2' ' A' ' 32' ' ' PHE . 14.7 mt -110.6 -46.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.9 tt0 45.53 27.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -164.19 111.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 29' ' ' ILE . 25.0 m-85 -134.42 146.16 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 26.0 m170 -70.29 151.55 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.1 -33.29 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.75 -27.01 55.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.55 -34.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.82 -26.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.33 75.07 1.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -143.18 140.67 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.4 p -102.65 -17.67 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.43 162.6 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.62 126.46 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -40.41 -51.65 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.34 -146.07 2.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.52 135.62 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.469 ' CH2' HG12 ' A' ' 20' ' ' VAL . 88.8 t90 -121.68 138.37 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 87.4 m-85 -133.93 123.0 23.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 10.2 p -46.6 155.74 0.56 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.74 -10.84 29.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -81.52 -30.33 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.9 m -87.67 -58.23 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -44.25 -33.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.19 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.4 -44.74 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtm -62.12 -36.14 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -64.71 -46.14 83.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -52.2 -35.34 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.3 mtt-85 -91.78 24.92 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.01 -96.48 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 p -79.32 -62.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 160.09 28.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -78.4 177.58 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 64' ' ' LYS . 2.8 pptp? -110.09 167.02 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -72.62 129.48 38.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.58 139.8 7.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 131.71 21.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -64.74 96.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -121.8 89.24 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.521 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -110.68 82.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -99.56 120.69 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.38 88.0 2.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLY . 68.2 m -110.11 -10.53 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 42.41 95.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.444 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -113.32 -74.75 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -46.74 162.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 pt -53.15 -29.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -78.11 9.58 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 m120 53.33 49.54 19.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -126.55 157.18 39.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -55.84 163.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 m -85.72 95.85 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -127.28 172.05 10.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.2 -178.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.92 116.79 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.49 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 26.4 mtp -119.84 141.7 49.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG23 ' CE3' ' A' ' 47' ' ' TRP . 7.3 p -105.75 105.48 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.43 125.87 29.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.6 t -55.04 125.79 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -47.84 -30.56 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -84.39 102.8 13.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -55.44 -31.53 62.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -24.57 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.51 134.06 7.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -19.99 35.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 38.3 mt -107.53 -51.53 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.0 tt0 49.58 26.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.2 m95 -164.46 106.22 0.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.445 ' N ' ' HE2' ' A' ' 19' ' ' MET . 7.1 m-85 -128.76 145.9 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.49 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 23.8 m170 -71.6 150.64 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.85 -33.55 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.16 -25.23 59.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.0 m -78.07 -36.38 48.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 38' ' ' GLY . 17.0 m -94.54 -23.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' N ' HG23 ' A' ' 37' ' ' VAL . . . 90.42 73.6 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -140.17 109.24 6.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -67.52 -38.35 84.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -140.77 -177.63 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.93 131.92 87.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 113.01 3.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -52.52 -49.73 64.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -154.67 24.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -84.66 140.9 31.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.563 ' CE3' HG23 ' A' ' 20' ' ' VAL . 90.6 t90 -123.97 139.44 53.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -130.43 120.03 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 11.3 p -45.17 156.11 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.665 0.745 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.79 -10.73 29.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.462 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.6 mt-30 -81.59 -31.04 32.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.3 m -85.96 -56.56 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.7 m -44.44 -39.26 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.37 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.71 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.0 mtp -61.81 -36.41 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -62.91 -42.54 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -88.04 25.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.55 47.34 2.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -67.76 98.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 -30.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -70.19 -44.28 69.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -46.52 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -92.26 143.56 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.04 76.37 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.92 22.28 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 p -45.0 103.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -58.71 164.49 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.472 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -84.73 113.47 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -121.66 109.92 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.7 133.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -70.7 -47.76 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -129.46 142.83 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.1 118.19 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.21 -71.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -43.91 163.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -54.33 -25.55 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.56 11.19 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 49.7 51.47 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.58 159.72 31.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.01 156.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -83.09 93.19 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -131.34 174.45 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.04 -169.94 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -70.61 107.91 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.572 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 19.3 mtp -111.29 141.87 44.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 7.5 p -107.14 106.84 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.19 128.35 41.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.52 125.7 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.8 t0 -49.18 -36.27 19.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -76.04 102.66 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -61.59 -18.55 59.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -75.91 -4.35 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 t -67.37 134.85 93.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.71 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 HD12 ' NE2' ' A' ' 51' ' ' GLN . 37.7 mt -105.3 -52.79 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 14.1 mt-10 59.08 25.02 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.27 127.53 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 27.5 m-85 -145.26 139.89 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.572 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 25.4 m170 -69.32 152.51 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.52 -36.43 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.9 -27.45 60.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 m -75.93 -36.94 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.6 m -94.42 -20.32 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 68.2 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.8 mt -129.43 86.79 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.1 p -50.37 -30.96 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -149.86 162.82 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.25 133.22 60.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -47.41 -53.63 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.35 -149.87 14.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -89.37 129.87 35.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CZ3' HG13 ' A' ' 20' ' ' VAL . 85.0 t90 -110.4 143.27 40.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.6 m-85 -128.58 119.12 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.566 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.6 p -44.86 156.28 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.7 -11.04 30.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' NE2' HD12 ' A' ' 29' ' ' ILE . 2.8 mt-30 -81.65 -29.38 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.7 m -88.75 -57.35 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.466 ' CG2' ' HE3' ' A' ' 57' ' ' LYS . 88.8 m -45.2 -29.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.48 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.05 -45.07 59.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.6 mtm -64.24 -40.36 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 53' ' ' THR . 46.2 mttt -63.51 -52.84 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -55.01 -43.9 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -63.87 -30.56 71.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.6 -90.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.529 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.0 t -127.09 129.58 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -78.98 -47.12 16.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -92.82 101.16 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -89.04 114.76 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 m -85.17 132.74 34.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.06 133.31 45.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.62 67.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.0 t -54.61 -58.15 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.3 p -50.69 135.06 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.493 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -83.26 -55.22 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -102.89 170.72 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 178.29 30.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -101.37 95.46 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -90.78 160.29 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.4 125.44 0.91 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -108.04 -68.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 110.941 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.12 163.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 pt -53.68 -24.19 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.8 p -84.77 11.74 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 48.27 50.08 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -123.52 161.5 24.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.4 m -55.98 155.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -80.74 87.75 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -126.58 174.95 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.92 177.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -59.12 106.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.553 ' HE1' ' CD2' ' A' ' 33' ' ' HIS . 20.9 mtp -107.43 143.92 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 47' ' ' TRP . 1.2 p -110.48 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.4 127.15 39.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.08 125.48 23.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.5 t70 -48.11 -37.68 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.05 102.33 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.61 -22.73 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -69.47 -8.1 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 t -64.36 134.64 96.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.83 34.39 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 ' CE2' ' A' ' 32' ' ' PHE . 17.6 mt -101.84 -53.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 13.2 mt-10 59.18 25.0 13.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.588 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.4 125.24 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.51 ' CE2' HD11 ' A' ' 29' ' ' ILE . 46.7 m-85 -145.64 138.06 25.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CD2' ' HE1' ' A' ' 19' ' ' MET . 20.7 m170 -67.11 148.83 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -66.7 -33.2 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.97 -28.44 54.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.0 m -74.96 -35.73 62.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.8 m -93.47 -25.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.66 72.66 1.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 47' ' ' TRP . 60.5 mt -141.3 124.22 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -81.41 -39.49 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.17 160.41 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.51 127.07 7.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 99.69 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -43.68 -48.72 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.14 -144.54 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -103.52 126.85 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 20' ' ' VAL . 86.5 t90 -110.46 135.37 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 94.0 m-85 -128.65 117.17 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.449 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.9 p -43.13 156.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.73 -10.88 29.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 112.392 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -82.05 -29.26 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -88.81 -55.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -46.29 -36.36 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.89 88.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 -42.44 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.4 mtm -65.63 -40.04 92.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -55.79 -44.79 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -47.38 -46.75 26.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -70.48 -32.32 69.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.53 127.74 2.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -130.36 99.68 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.03 110.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -161.27 123.35 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -162.11 135.07 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.96 124.51 6.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.52 10.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 t -49.38 130.61 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -50.34 141.26 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.539 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.7 p -57.86 165.24 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -123.08 41.68 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.0 58.54 0.63 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -53.2 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -82.66 169.54 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.44 119.61 0.69 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -118.84 -75.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -41.45 163.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 ' CG2' ' OE1' ' A' ' 51' ' ' GLN . 9.8 pt -54.99 -26.58 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.95 10.77 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 50.21 51.1 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -126.42 160.8 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.09 163.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -88.29 89.99 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -122.83 175.68 6.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.4 -176.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.8 114.81 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.566 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 25.8 mtp -116.3 149.4 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' CE3' ' A' ' 47' ' ' TRP . 2.4 p -117.13 108.32 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 121.18 15.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 t -46.55 137.2 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 7.6 t70 -59.1 -29.07 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -82.19 116.3 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.83 -11.68 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.79 2.12 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.16 135.38 91.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.94 33.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.2 mt -115.47 -55.17 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 27.6 mt-10 63.18 25.02 14.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.2 m95 -164.04 125.03 2.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 23.8 m-85 -143.04 139.84 30.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.9 m170 -68.86 151.22 46.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -68.8 -35.69 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.26 -25.89 62.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 m -77.33 -38.76 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 m -94.88 -19.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.82 72.33 1.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -133.48 81.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -43.13 -29.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -155.77 179.96 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.93 134.4 92.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.9 Cg_endo -69.73 100.1 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -34.3 -61.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.29 -142.81 6.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 140.15 29.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.55 ' CE3' HG22 ' A' ' 20' ' ' VAL . 88.5 t90 -121.41 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -126.22 117.76 23.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.4 p -42.27 156.01 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.69 -10.66 29.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.47 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 16.8 mt-30 -82.95 -28.26 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.0 m -88.75 -57.03 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -46.74 -28.63 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -39.22 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.57 -48.27 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.5 mtm -56.88 -39.09 73.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -64.25 -50.42 68.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -48.7 -48.14 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -58.15 -32.42 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 95.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m 63.09 29.65 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.82 161.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -145.05 157.98 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -94.71 132.98 38.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 t -133.41 152.66 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.05 142.23 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.485 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.1 19.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -111.17 144.8 39.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 t -75.81 113.89 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.456 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -65.64 142.7 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -116.71 132.19 56.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.06 101.95 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -92.46 147.5 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -79.95 134.2 36.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.81 113.74 0.48 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -99.92 -68.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.948 0.404 . . . . 0.0 110.969 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.37 162.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.5 pt -53.76 -28.01 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -80.65 11.21 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m120 47.43 54.18 9.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.16 154.51 45.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 m -56.15 155.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -79.73 116.79 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -137.67 177.72 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.87 -135.83 5.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 12.6 mt-10 -102.68 116.13 31.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.563 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 21.1 mtp -111.15 144.43 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 9.2 p -108.34 109.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.0 135.44 22.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 t -65.99 126.27 28.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 13.0 t70 -48.52 -34.72 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.43 100.94 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -56.03 -24.25 38.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -22.96 64.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.94 133.93 14.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -19.51 36.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 36.8 mt -109.58 -51.16 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.2 tt0 48.12 29.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -165.47 110.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -131.71 159.6 37.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 32.9 m170 -84.58 151.93 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 3.0 m-85 -68.76 -32.33 72.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.03 -30.08 39.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.559 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -74.37 -33.32 63.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.8 m -96.66 -26.7 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.77 74.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -140.31 111.19 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.6 p -70.18 -32.76 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.85 159.7 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.42 126.93 6.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.08 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -42.98 -57.16 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.08 -156.86 3.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 137.77 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.481 ' CZ3' HG13 ' A' ' 20' ' ' VAL . 89.8 t90 -122.01 138.7 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 90.2 m-85 -131.3 120.26 22.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.461 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.2 p -43.29 155.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.402 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.8 mt-30 -82.1 -28.82 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.3 m -89.73 -55.31 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 m -46.6 -30.47 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -40.51 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.14 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -62.98 -39.9 96.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -57.26 -50.97 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -57.04 -45.99 82.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -59.97 -32.32 70.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.64 38.17 2.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -119.72 158.79 25.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' A' ' 62' ' ' ARG . 10.1 ttm105 -55.55 157.21 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -125.36 127.35 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 72.72 40.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.6 p -64.68 89.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.75 -149.46 6.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.1 p -118.79 93.13 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -86.15 -49.66 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.475 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -120.73 92.56 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -110.48 154.68 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.7 114.16 2.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -65.41 161.4 19.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -99.42 173.75 6.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.49 105.73 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.545 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -103.84 -71.92 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.11 162.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -54.38 -22.96 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -85.91 11.92 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 48.53 51.26 15.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.43 159.82 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -55.97 155.46 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.5 p -81.13 92.67 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.42 174.72 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.99 -176.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.21 114.34 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.522 ' HE2' ' CD2' ' A' ' 33' ' ' HIS . 23.7 mtp -116.45 141.62 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' CZ3' ' A' ' 47' ' ' TRP . 8.4 p -108.66 106.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.0 121.56 21.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.7 119.91 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -42.43 -36.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -79.46 102.68 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -57.53 -28.61 63.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.94 -17.08 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 t -53.78 134.29 56.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.26 34.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 HD11 ' NE2' ' A' ' 51' ' ' GLN . 28.5 mt -113.68 -50.17 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.4 mt-10 56.64 25.02 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -163.99 124.35 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 3.3 m-85 -144.92 141.2 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CD2' ' HE2' ' A' ' 19' ' ' MET . 20.8 m170 -69.13 149.11 49.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.48 -32.77 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.1 53.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.7 -36.1 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 m -96.71 -26.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.23 74.86 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.3 mt -138.77 112.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.0 p -73.3 -37.03 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.46 158.8 44.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 127.77 3.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.02 4.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -55.96 -53.78 52.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.06 -145.34 2.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -99.03 128.02 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.476 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.9 t90 -108.77 141.76 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -135.0 116.4 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 12.0 p -40.67 155.83 0.19 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.85 -8.4 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.408 ' NE2' HD11 ' A' ' 29' ' ' ILE . 3.2 mt-30 -85.52 -30.79 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 m -86.76 -62.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -42.02 -35.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 53' ' ' THR . . . -72.93 -42.82 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.9 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.1 mtm -59.66 -39.57 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 60' ' ' GLY . 27.2 mttm -63.45 -43.99 95.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -42.48 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' LYS . 75.1 mtm180 -88.38 24.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' LYS . . . 157.34 48.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -124.49 81.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -173.57 145.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 41.4 m80 -86.35 81.68 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 63' ' ' HIS . 20.5 ttpt -34.9 139.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -158.37 173.8 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.74 -84.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.34 27.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.9 m -124.52 110.33 14.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -40.62 137.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.519 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' ILE . 15.0 m-85 -120.46 -70.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.55 162.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.732 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.4 pt -54.2 -29.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.55 7.67 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m120 55.68 44.59 26.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -123.59 160.8 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' HD2' ' A' ' 16' ' ' TYR . 15.7 m -55.99 162.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.6 m -88.74 89.16 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HD2' HG23 ' A' ' 14' ' ' VAL . 29.9 p90 -122.25 177.56 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.39 179.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 113.63 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.484 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 28.0 mtp -117.14 149.13 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.6 p -113.07 110.73 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.36 121.67 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.08 132.78 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -53.66 -34.06 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -79.82 102.17 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.99 -21.69 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -48.81 134.15 14.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -19.01 36.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 33.8 mt -108.34 -53.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.7 tt0 51.62 25.86 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.15 107.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 5.6 m-85 -128.75 143.95 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -69.36 154.78 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -72.64 -36.73 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.15 -26.27 64.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -76.66 -39.61 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -92.01 -24.11 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 69.16 1.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 47' ' ' TRP . 14.5 mt -131.48 79.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -42.14 -28.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.62 156.95 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.19 134.55 4.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 122.17 8.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -53.52 -51.58 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.2 -148.36 22.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -85.66 132.93 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 74.2 t90 -117.53 129.83 56.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 82.7 m-85 -121.61 123.89 43.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -45.5 155.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.77 -10.92 29.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.732 ' OE1' HG22 ' A' ' 10' ' ' ILE . 22.4 mt-30 -81.72 -29.5 32.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 57' ' ' LYS . 59.2 m -44.53 -32.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.07 -38.36 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.77 -44.46 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -36.35 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HE2' HG22 ' A' ' 53' ' ' THR . 41.6 mttm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -98.71 -68.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.3 t -45.49 162.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.434 HG22 ' OE1' ' A' ' 51' ' ' GLN . 7.6 pt -53.08 -28.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -81.28 11.29 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 48.37 51.97 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -127.15 153.78 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.21 148.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -74.22 113.33 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -139.06 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.29 -162.18 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.74 112.38 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 33' ' ' HIS . 45.3 mmm -114.8 149.04 37.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' VAL . 14.5 p -112.82 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.47 131.2 24.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 t -60.45 126.43 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.2 t70 -49.7 -36.18 24.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -78.78 100.3 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -53.24 -31.39 43.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.2 -24.05 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.32 134.07 17.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -21.03 33.92 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mt -108.68 -51.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.3 tt0 49.8 28.23 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.0 m95 -164.48 112.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.3 m-85 -135.77 145.96 47.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.598 ' CD2' ' SD ' ' A' ' 19' ' ' MET . 32.4 m80 -67.09 157.93 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.84 -32.73 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.91 -25.95 47.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 m -75.04 -34.07 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 33' ' ' HIS . 26.1 m -99.92 -22.55 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.6 74.45 1.28 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -134.88 80.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -41.34 -37.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.02 -179.92 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.52 136.59 90.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.99 4.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -62.69 -52.26 63.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.39 -132.35 1.65 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -106.09 131.96 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.314 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.4 t90 -115.82 144.6 43.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.1 m-85 -138.36 124.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.0 p -46.92 155.62 0.61 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' OE1' HG22 ' A' ' 10' ' ' ILE . 20.0 mt-30 -81.6 -30.42 32.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.9 m -87.91 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.696 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 38.8 m -44.09 -32.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.05 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.25 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 mtm -57.87 -37.31 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.696 ' NZ ' HG22 ' A' ' 53' ' ' THR . 17.0 mtmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 29' ' ' ILE . 23.5 m-85 -103.86 -67.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -48.51 162.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.504 HG22 ' OE1' ' A' ' 51' ' ' GLN . 6.6 pt -53.39 -27.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.85 9.66 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m120 50.13 50.69 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -125.67 160.11 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -55.98 158.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.8 m -84.73 95.77 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -129.13 176.84 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.45 -174.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.21 113.91 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.438 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 25.2 mtp -117.71 142.66 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 20' ' ' VAL . 10.9 p -108.22 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 128.47 28.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -57.95 125.26 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 t70 -47.71 -32.32 5.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.16 104.12 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.06 -30.18 64.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -23.42 64.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.36 134.07 17.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.69 36.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' TYR . 24.8 mt -109.85 -51.25 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 7.9 tt0 48.38 27.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.8 m95 -164.3 108.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.438 ' N ' ' HE2' ' A' ' 19' ' ' MET . 4.4 m-85 -131.2 152.63 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.695 ' O ' HG22 ' A' ' 37' ' ' VAL . 16.3 m-70 -77.92 152.71 33.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.89 -33.01 71.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.48 -30.07 46.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.9 m -75.21 -33.33 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 33' ' ' HIS . 33.3 m -95.25 -25.42 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.09 74.03 1.26 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -141.94 111.07 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -68.62 -34.92 76.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.46 177.43 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.84 130.27 92.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 101.6 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -46.21 62.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.83 -150.83 7.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -93.81 127.27 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.551 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.5 t90 -114.11 133.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 95.5 m-85 -124.2 120.15 31.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.0 p -43.94 155.85 0.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.73 -10.92 29.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.504 ' OE1' HG22 ' A' ' 10' ' ' ILE . 21.3 mt-30 -81.96 -29.5 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -88.01 -56.79 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.619 HG22 ' HE3' ' A' ' 57' ' ' LYS . 24.6 m -44.53 -33.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 -41.0 74.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.05 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.54 -45.19 47.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.75 -37.2 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 53' ' ' THR . 4.1 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -109.2 -67.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 110.974 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -46.96 162.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 pt -53.27 -27.94 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.82 10.96 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 49.11 52.47 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -127.31 159.83 33.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.95 155.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.7 p -82.53 91.3 6.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -126.94 173.91 9.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.51 -174.11 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.37 116.17 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 24.9 mtp -120.83 144.21 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.6 p -113.28 105.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.56 124.85 30.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -50.42 133.78 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 6.0 m-20 -54.44 -25.71 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -92.32 103.97 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -54.4 -32.89 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -59.3 -22.34 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.16 133.98 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.68 34.45 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.246 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 31' ' ' TRP . 45.6 mt -105.7 -46.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.6 tt0 44.21 26.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -163.93 107.04 0.95 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' N ' ' HE2' ' A' ' 19' ' ' MET . 22.9 m-85 -128.82 148.47 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -73.71 154.62 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.32 -39.52 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.61 -25.59 71.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.4 m -77.52 -40.38 42.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 m -92.7 -20.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.46 70.48 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -132.74 88.4 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.8 p -50.32 -35.42 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -146.15 -178.53 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 129.32 94.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.704 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 54.0 Cg_endo -69.71 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.6 mtpm? -37.67 -51.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.24 -161.43 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -77.82 138.32 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.6 t90 -123.81 143.06 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 86.9 m-85 -135.61 120.25 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.9 p -44.91 155.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.78 -10.8 29.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -81.72 -30.32 32.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -87.26 -58.31 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.0 m -44.38 -34.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.44 66.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.57 -48.95 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.1 mtm -57.3 -39.14 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 mttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.7 -67.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 110.915 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.62 162.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -52.82 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.76 10.87 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 48.52 54.16 10.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -127.08 160.52 30.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.12 159.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -87.35 92.66 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -128.24 172.34 11.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.17 -164.28 6.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.15 113.48 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.441 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 22.4 mtp -116.92 143.85 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.0 p -109.81 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.89 120.62 16.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -46.43 130.86 10.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -25.6 26.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 27' ' ' CYS . 6.0 t-20 -92.2 104.71 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -55.52 -32.54 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.76 -20.61 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 24' ' ' ASN . 4.1 t -53.15 134.3 50.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.39 32.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.2 mt -105.27 -49.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.4 tt0 48.23 28.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.1 m95 -164.95 105.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.7 147.25 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 37' ' ' VAL . 12.3 m-70 -72.58 156.37 39.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.52 -36.32 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.02 -27.24 60.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.8 m -76.02 -37.54 58.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 33' ' ' HIS . 15.5 m -93.79 -26.18 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.2 68.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -130.08 81.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -43.46 -31.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -148.22 -179.04 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.82 91.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.79 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -57.6 -50.96 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.33 -155.78 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -83.45 134.4 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -121.66 132.36 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -128.73 118.77 23.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 8.7 p -43.88 156.06 0.31 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.1 Cg_endo -69.81 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -82.05 -29.17 32.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.3 m -87.3 -58.16 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.4 m -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.28 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.36 -44.47 44.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.77 -37.06 80.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.55 -71.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.5 t -46.31 163.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.783 HG22 ' OE1' ' A' ' 51' ' ' GLN . 7.0 pt -54.44 -25.77 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.6 p -81.49 10.44 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.54 49.14 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -125.92 155.33 41.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.89 159.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -83.61 97.79 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -133.67 171.56 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.5 -165.53 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.23 113.11 8.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.482 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 25.6 mtp -117.28 142.15 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.4 p -106.08 105.57 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.33 120.99 19.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.5 t -51.64 124.19 11.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.549 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 12.8 m-20 -44.23 -34.83 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -80.82 104.75 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -57.21 -30.26 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.98 -25.15 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 t -43.55 133.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.685 0.755 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -15.43 36.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.619 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 20.9 mt -112.4 -51.69 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.6 tt0 52.54 25.25 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.03 106.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 24.4 m-85 -129.19 144.0 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' O ' HG22 ' A' ' 37' ' ' VAL . 17.3 m-70 -68.92 153.23 44.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -25.73 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 m -78.35 -35.34 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 33' ' ' HIS . 29.7 m -96.94 -24.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.24 74.85 1.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 mt -140.54 131.25 25.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.4 p -89.7 -34.59 16.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -149.97 -176.39 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 123.4 85.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -44.19 -52.8 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.2 -149.28 0.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -100.08 132.44 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -119.93 133.09 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 70.8 m-85 -127.15 118.61 24.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -41.63 156.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.783 ' OE1' HG22 ' A' ' 10' ' ' ILE . 16.7 mt-30 -82.65 -28.35 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.4 m -88.57 -57.24 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.704 HG22 ' HE2' ' A' ' 57' ' ' LYS . 58.3 m -44.74 -30.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.01 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.51 -46.63 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.7 mtp -57.71 -37.51 73.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HE2' HG22 ' A' ' 53' ' ' THR . 29.0 mtmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 29' ' ' ILE . 13.7 m-85 -114.55 -69.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.65 163.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.603 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.6 pt -53.88 -26.74 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.15 10.67 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 52.07 52.67 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -128.23 156.64 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.9 165.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 p -85.67 96.76 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.93 162.83 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.98 -175.48 7.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 4.9 mp0 -65.16 107.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.414 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 20.9 mtp -112.33 140.63 46.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 20' ' ' VAL . 10.2 p -106.31 107.62 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 30' ' ' GLU . . . -66.71 130.45 31.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.54 120.39 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 28.7 t70 -42.37 -35.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -80.66 102.83 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -56.5 -30.79 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -60.09 -19.98 55.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.99 134.68 58.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.436 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 27.2 mt -106.04 -54.48 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.3 tt0 50.74 28.77 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 m95 -165.52 105.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 4.1 m-85 -129.18 145.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -70.79 151.0 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.04 -37.37 83.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.96 -25.14 67.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 m -76.91 -40.27 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -91.5 -25.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.91 69.0 1.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.7 mt -130.41 84.73 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.7 p -47.44 -27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -154.1 -179.98 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.74 130.69 92.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.68 9.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -58.8 -56.48 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.33 -150.84 6.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -89.63 127.14 35.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.414 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.4 t90 -103.54 133.94 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 79.7 m-85 -125.9 117.26 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.4 p -41.8 156.04 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.74 -11.11 30.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.603 ' OE1' HG22 ' A' ' 10' ' ' ILE . 17.9 mt-30 -82.4 -27.87 31.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -90.24 -56.55 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.939 HG22 ' HE2' ' A' ' 57' ' ' LYS . 39.6 m -47.13 -30.13 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.73 -41.15 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.65 48.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.9 mtm -56.68 -39.6 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.939 ' HE2' HG22 ' A' ' 53' ' ' THR . 37.4 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -104.69 -69.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.981 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.1 t -44.98 162.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.483 HG23 ' CE2' ' A' ' 32' ' ' PHE . 10.1 pt -54.26 -23.46 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.41 11.99 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 m120 49.0 53.91 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -127.92 160.27 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.72 153.74 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -80.43 86.38 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -122.95 175.02 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.74 -179.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.34 110.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.521 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 20.1 mtp -114.11 142.39 46.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -104.94 108.58 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.01 119.09 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -53.28 132.34 38.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.2 t0 -56.51 -38.25 71.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.94 101.73 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -59.74 -16.83 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.71 -8.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.01 134.78 95.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.75 37.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.1 mt -109.13 -52.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.603 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.9 mt-10 60.82 24.98 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.603 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -164.89 129.79 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.521 ' N ' ' HE2' ' A' ' 19' ' ' MET . 29.5 m-85 -145.02 142.62 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 37' ' ' VAL . 8.7 m-70 -71.54 146.9 48.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -65.12 -34.64 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -28.3 57.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 m -75.53 -38.5 59.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.8 m -92.24 -23.01 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.8 72.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.95 109.74 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -68.74 -38.58 80.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.04 166.65 24.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.85 129.9 78.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 109.99 2.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -49.63 -54.36 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.14 -151.38 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -93.13 131.29 38.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 82.6 t90 -115.78 131.47 56.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.5 m-85 -119.81 119.24 33.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.5 p -44.64 156.49 0.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.75 -11.27 30.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 2.0 mt-30 -81.1 -30.21 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.8 m -88.69 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -45.88 -33.91 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.47 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.02 -44.36 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.6 mtm -64.4 -33.47 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -126.39 -70.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.962 0.411 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.57 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.884 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.9 pt -55.72 -19.54 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -88.67 11.38 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 50.89 51.96 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -126.49 158.0 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.38 155.17 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -81.44 92.62 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -128.37 176.26 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.87 112.28 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.516 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 24.5 mtp -115.69 141.79 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.76 106.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.14 129.17 43.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.23 116.78 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 24.1 t70 -40.46 -39.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -71.29 101.73 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.81 -19.93 53.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.65 -6.68 50.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -62.91 134.14 95.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.91 36.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.3 mt -113.21 -48.95 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 11.3 mt-10 57.9 25.02 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.16 128.23 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' N ' ' HE2' ' A' ' 19' ' ' MET . 21.8 m-85 -144.37 141.86 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 37' ' ' VAL . 10.4 m-70 -70.42 150.07 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.06 -32.29 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.71 -28.64 46.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.6 m -75.62 -34.11 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 33' ' ' HIS . 23.5 m -96.43 -22.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.59 75.52 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 mt -142.98 114.49 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -70.86 -33.95 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -149.34 -179.53 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.99 128.63 93.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 114.91 3.87 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.11 -60.16 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.27 -155.87 5.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -86.73 136.42 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 83.8 t90 -117.78 140.55 49.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 97.3 m-85 -132.4 124.09 28.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.498 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -47.87 155.85 0.78 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.4 Cg_endo -69.84 -10.84 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.884 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.5 mt-30 -81.37 -30.6 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 51.7 m -87.93 -58.16 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.599 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 60.7 m -44.41 -31.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.93 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.16 -45.09 43.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.2 -37.99 84.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.599 ' NZ ' HG22 ' A' ' 53' ' ' THR . 11.4 mtmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -104.63 -68.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.23 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.491 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.3 pt -54.67 -27.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -81.48 11.7 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.92 52.07 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -126.17 158.56 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.97 155.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -78.7 92.32 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -127.75 175.2 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.2 117.61 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.416 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 22.8 mtp -120.98 142.74 49.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.1 p -112.57 107.23 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 30' ' ' GLU . . . -65.02 129.7 35.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.62 124.82 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t70 -44.73 -37.92 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.46 101.26 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.6 -30.37 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.18 -23.15 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.88 134.34 21.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.682 0.754 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.38 36.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 49.7 mt -106.23 -54.04 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.5 tt0 48.05 27.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.3 m95 -164.97 104.98 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 23.0 m-85 -128.28 152.14 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -77.03 153.24 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -69.35 -39.15 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.73 -23.55 74.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 m -77.93 -41.82 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.08 -21.93 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 71.37 1.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 47' ' ' TRP . 18.9 mt -133.52 84.42 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -47.83 -26.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.87 172.26 18.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.34 130.8 89.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.81 96.26 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -33.95 -58.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.72 -140.38 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -100.21 135.94 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 72.9 t90 -119.37 137.59 53.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 91.7 m-85 -128.53 126.09 39.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.1 p -47.82 155.85 0.77 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.82 -10.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.491 ' OE1' HG22 ' A' ' 10' ' ' ILE . 17.9 mt-30 -81.3 -30.66 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.7 m -88.28 -56.41 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -46.43 -34.31 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.39 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.5 -47.33 41.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.1 mtm -58.07 -38.08 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.36 -70.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.41 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.2 t -42.56 164.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.839 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.3 pt -58.05 -19.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -88.94 12.68 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 49.59 50.3 18.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -124.98 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.404 HG23 ' HD1' ' A' ' 16' ' ' TYR . 16.0 m -55.99 155.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -83.04 92.07 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' HD1' HG23 ' A' ' 14' ' ' VAL . 36.7 p90 -129.9 175.71 8.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.35 -164.16 5.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.68 110.36 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.5 mtp -114.11 139.56 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.9 p -101.54 108.96 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.47 125.01 30.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.8 125.55 24.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 48.8 t0 -49.81 -40.08 40.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -72.69 101.33 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -58.7 -19.04 36.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.55 -8.7 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.76 134.23 95.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.48 37.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mt -108.24 -52.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.605 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.6 mt-10 61.51 25.03 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.605 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.1 m95 -165.16 130.75 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' HE2' HG23 ' A' ' 10' ' ' ILE . 38.7 m-85 -145.76 140.2 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' O ' HG22 ' A' ' 37' ' ' VAL . 8.3 m-70 -69.07 145.7 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.94 -34.73 78.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.8 -27.12 59.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 m -75.8 -38.65 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 33' ' ' HIS . 28.0 m -91.24 -25.74 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.43 72.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -140.42 113.92 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -75.35 -17.08 60.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -162.04 -177.02 5.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.0 127.08 92.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.86 98.06 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 mtpm? -36.25 -54.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -154.68 6.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -91.45 133.39 35.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.3 t90 -115.72 139.95 49.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -131.2 122.37 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -46.05 155.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.7 Cg_endo -69.72 -11.24 30.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.839 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.2 mt-30 -81.35 -29.34 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.5 m -90.11 -56.9 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.505 HG22 ' HE2' ' A' ' 57' ' ' LYS . 28.1 m -47.57 -29.12 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.19 -43.28 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.84 -50.28 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.9 mtm -56.44 -38.23 71.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HE2' HG22 ' A' ' 53' ' ' THR . 19.6 mtmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -119.32 -68.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -46.4 162.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.655 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.5 pt -54.38 -23.67 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -84.46 10.92 9.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 49.74 52.24 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -126.42 159.97 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.97 155.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -82.09 91.68 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -127.89 175.03 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.64 -160.63 6.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.64 113.65 17.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.46 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 17.1 mtp -116.46 136.72 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 20' ' ' VAL . 13.8 p -99.93 108.9 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 121.51 22.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.6 t -57.47 121.64 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t0 -48.11 -35.53 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -77.17 100.98 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.52 -21.8 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.11 -7.46 41.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -65.57 134.48 95.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -17.53 37.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.7 mt -108.63 -52.32 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 17.8 mt-10 61.54 24.98 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.8 m95 -164.36 128.96 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 9.7 m-85 -145.67 141.1 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 37' ' ' VAL . 9.3 m-70 -69.86 148.66 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.04 -34.01 77.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.83 -29.71 50.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 m -74.98 -35.19 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.9 m -94.85 -24.6 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.76 74.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 mt -141.55 118.09 10.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.5 p -75.15 -38.62 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.02 176.45 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 127.98 92.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.43 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -41.41 -49.65 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.3 -144.81 1.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -103.15 127.6 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.3 t90 -111.09 151.48 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.0 m-85 -142.97 121.23 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.557 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.1 p -47.01 156.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.7 -11.12 30.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.655 ' OE1' HG22 ' A' ' 10' ' ' ILE . 13.7 mt-30 -81.13 -30.96 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.01 -57.1 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.2 m -45.15 -37.12 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.1 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.82 30.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.0 mtm -62.42 -38.79 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -114.64 -72.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -42.04 163.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 pt -54.86 -22.53 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -86.12 12.11 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 m120 49.2 48.08 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.76 160.73 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.93 159.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 p -85.03 89.82 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -125.2 175.22 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.09 -173.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.2 116.86 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.481 ' HE2' ' HB3' ' A' ' 31' ' ' TRP . 27.4 mtp -119.01 137.48 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.3 p -100.27 109.64 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.94 119.81 12.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.63 130.26 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 23.1 t70 -54.78 -37.52 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -73.26 103.28 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.52 -18.48 59.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.73 -7.02 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.46 134.05 95.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.59 35.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -104.32 -52.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.595 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-10 58.74 25.03 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.96 127.91 2.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -145.58 143.85 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 37' ' ' VAL . 8.9 m-70 -71.84 151.13 43.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.02 -34.28 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.56 -29.09 53.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.7 m -74.85 -36.6 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.9 m -93.12 -24.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 74.02 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -141.78 113.12 7.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -71.96 -36.37 69.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 174.19 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.18 123.33 77.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.575 0.702 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.25 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -48.58 -55.13 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.51 -158.06 3.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.86 133.26 35.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 70.6 t90 -116.25 136.44 53.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 90.0 m-85 -124.78 122.06 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.4 p -46.31 156.3 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.71 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -81.27 -30.52 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.48 -56.91 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.483 HG22 ' HE2' ' A' ' 57' ' ' LYS . 86.0 m -46.32 -31.44 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.46 -39.82 52.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -47.39 57.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.8 mtm -56.96 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HE2' HG22 ' A' ' 53' ' ' THR . 27.5 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.07 -73.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.39 163.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.495 HG23 ' CE2' ' A' ' 32' ' ' PHE . 22.5 pt -53.96 -26.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -81.62 11.05 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 49.26 51.47 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.85 160.44 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.11 160.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -84.04 91.2 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -128.89 169.27 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.76 176.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 15.1 mp0 -59.11 107.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.466 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 23.5 mtp -107.94 144.53 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.5 p -107.81 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.55 132.82 35.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.09 121.39 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 14.7 m-20 -42.39 -27.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -91.26 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.5 -29.73 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.89 -18.6 60.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.5 t -53.74 134.01 55.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -17.68 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.472 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 14.7 mt -110.6 -46.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.9 tt0 45.53 27.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -164.19 111.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 10' ' ' ILE . 25.0 m-85 -134.42 146.16 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -70.29 151.55 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.1 -33.29 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.75 -27.01 55.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.55 -34.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.82 -26.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.33 75.07 1.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -143.18 140.67 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.4 p -102.65 -17.67 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.43 162.6 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.62 126.46 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -40.41 -51.65 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.34 -146.07 2.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.52 135.62 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -121.68 138.37 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 87.4 m-85 -133.93 123.0 23.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.416 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 10.2 p -46.6 155.74 0.56 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.74 -10.84 29.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.427 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.1 mt-30 -81.52 -30.33 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.9 m -87.67 -58.23 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -44.25 -33.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.19 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.4 -44.74 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtm -62.12 -36.14 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -113.32 -74.75 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -46.74 162.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 pt -53.15 -29.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -78.11 9.58 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 m120 53.33 49.54 19.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -126.55 157.18 39.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -55.84 163.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 m -85.72 95.85 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -127.28 172.05 10.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.2 -178.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.92 116.79 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.474 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 26.4 mtp -119.84 141.7 49.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.3 p -105.75 105.48 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.43 125.87 29.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.6 t -55.04 125.79 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 9.4 m-20 -47.84 -30.56 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -84.39 102.8 13.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -55.44 -31.53 62.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -24.57 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.51 134.06 7.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -19.99 35.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.3 mt -107.53 -51.53 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.0 tt0 49.58 26.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.2 m95 -164.46 106.22 0.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.474 ' N ' ' HE2' ' A' ' 19' ' ' MET . 7.1 m-85 -128.76 145.9 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' HG22 ' A' ' 37' ' ' VAL . 15.4 m-70 -71.6 150.64 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.85 -33.55 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.16 -25.23 59.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.0 m -78.07 -36.38 48.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 33' ' ' HIS . 17.0 m -94.54 -23.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.42 73.6 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -140.17 109.24 6.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -67.52 -38.35 84.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -140.77 -177.63 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.93 131.92 87.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 113.01 3.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -52.52 -49.73 64.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -154.67 24.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -84.66 140.9 31.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 90.6 t90 -123.97 139.44 53.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 75.5 m-85 -130.43 120.03 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 11.3 p -45.17 156.11 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.665 0.745 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.79 -10.73 29.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -81.59 -31.04 32.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.3 m -85.96 -56.56 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.7 m -44.44 -39.26 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.37 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.71 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.0 mtp -61.81 -36.41 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 mttp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.21 -71.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -43.91 163.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -54.33 -25.55 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.56 11.19 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 49.7 51.47 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.58 159.72 31.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.01 156.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -83.09 93.19 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -131.34 174.45 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.04 -169.94 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -70.61 107.91 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.443 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 19.3 mtp -111.29 141.87 44.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.5 p -107.14 106.84 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.19 128.35 41.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.52 125.7 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.8 t0 -49.18 -36.27 19.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -76.04 102.66 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -61.59 -18.55 59.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -75.91 -4.35 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 t -67.37 134.85 93.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.71 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.7 mt -105.3 -52.79 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 14.1 mt-10 59.08 25.02 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.27 127.53 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' N ' ' HE2' ' A' ' 19' ' ' MET . 27.5 m-85 -145.26 139.89 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.437 ' O ' HG22 ' A' ' 37' ' ' VAL . 16.0 m-70 -69.32 152.51 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.52 -36.43 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.9 -27.45 60.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 m -75.93 -36.94 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 33' ' ' HIS . 14.6 m -94.42 -20.32 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 68.2 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.8 mt -129.43 86.79 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.1 p -50.37 -30.96 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -149.86 162.82 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.25 133.22 60.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -47.41 -53.63 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.35 -149.87 14.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -89.37 129.87 35.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -110.4 143.27 40.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.6 m-85 -128.58 119.12 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.6 p -44.86 156.28 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.7 -11.04 30.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -81.65 -29.38 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.7 m -88.75 -57.35 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.479 ' CG2' ' HE3' ' A' ' 57' ' ' LYS . 88.8 m -45.2 -29.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.48 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.05 -45.07 59.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.6 mtm -64.24 -40.36 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HE3' ' CG2' ' A' ' 53' ' ' THR . 46.2 mttt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.405 ' O ' HG23 ' A' ' 29' ' ' ILE . 26.1 m-85 -108.04 -68.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.12 163.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 pt -53.68 -24.19 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.8 p -84.77 11.74 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 48.27 50.08 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -123.52 161.5 24.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HD2' ' A' ' 16' ' ' TYR . 16.4 m -55.98 155.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -80.74 87.75 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.449 ' HD2' HG23 ' A' ' 14' ' ' VAL . 12.0 p90 -126.58 174.95 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.92 177.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 18' ' ' GLU . 30.0 mp0 -59.12 106.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.499 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 20.9 mtp -107.43 143.92 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.48 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.4 127.15 39.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.08 125.48 23.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.5 t70 -48.11 -37.68 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.05 102.33 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.61 -22.73 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -69.47 -8.1 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 t -64.36 134.64 96.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.83 34.39 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.498 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 17.6 mt -101.84 -53.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.588 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 13.2 mt-10 59.18 25.0 13.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.588 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.4 125.24 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.499 ' N ' ' HE2' ' A' ' 19' ' ' MET . 46.7 m-85 -145.64 138.06 25.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 37' ' ' VAL . 12.7 m-70 -67.11 148.83 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -66.7 -33.2 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.97 -28.44 54.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.0 m -74.96 -35.73 62.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 33' ' ' HIS . 33.8 m -93.47 -25.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.66 72.66 1.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 47' ' ' TRP . 60.5 mt -141.3 124.22 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -81.41 -39.49 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.17 160.41 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.51 127.07 7.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 99.69 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -43.68 -48.72 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.14 -144.54 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -103.52 126.85 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.474 ' CD1' HD11 ' A' ' 39' ' ' LEU . 86.5 t90 -110.46 135.37 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 94.0 m-85 -128.65 117.17 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.451 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.9 p -43.13 156.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.73 -10.88 29.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 112.392 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.419 ' OE1' HD11 ' A' ' 29' ' ' ILE . 13.3 mt-30 -82.05 -29.26 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -88.81 -55.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -46.29 -36.36 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.89 88.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 -42.44 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.4 mtm -65.63 -40.04 92.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -118.84 -75.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -41.45 163.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.849 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.8 pt -54.99 -26.58 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.95 10.77 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 3.3 t30 50.21 51.1 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -126.42 160.8 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.09 163.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -88.29 89.99 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -122.83 175.68 6.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.4 -176.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.8 114.81 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.425 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 25.8 mtp -116.3 149.4 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 p -117.13 108.32 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 121.18 15.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 t -46.55 137.2 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.579 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 7.6 t70 -59.1 -29.07 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -82.19 116.3 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.83 -11.68 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.79 2.12 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.16 135.38 91.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.94 33.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.471 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 12.2 mt -115.47 -55.17 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 27.6 mt-10 63.18 25.02 14.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.2 m95 -164.04 125.03 2.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 10' ' ' ILE . 23.8 m-85 -143.04 139.84 30.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -68.86 151.22 46.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -68.8 -35.69 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.26 -25.89 62.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 m -77.33 -38.76 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 m -94.88 -19.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.82 72.33 1.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -133.48 81.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -43.13 -29.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -155.77 179.96 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.93 134.4 92.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.9 Cg_endo -69.73 100.1 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -34.3 -61.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.29 -142.81 6.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 140.15 29.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 88.5 t90 -121.41 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -126.22 117.76 23.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.4 p -42.27 156.01 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.69 -10.66 29.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.849 ' OE1' HG22 ' A' ' 10' ' ' ILE . 16.8 mt-30 -82.95 -28.26 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.0 m -88.75 -57.03 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -46.74 -28.63 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -39.22 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.57 -48.27 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.5 mtm -56.88 -39.09 73.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 29' ' ' ILE . 25.1 m-85 -99.92 -68.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.948 0.404 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.37 162.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.531 HG23 ' CE2' ' A' ' 32' ' ' PHE . 8.5 pt -53.76 -28.01 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -80.65 11.21 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m120 47.43 54.18 9.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.16 154.51 45.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 m -56.15 155.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -79.73 116.79 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -137.67 177.72 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.87 -135.83 5.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 12.6 mt-10 -102.68 116.13 31.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.438 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 21.1 mtp -111.15 144.43 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.2 p -108.34 109.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.0 135.44 22.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 t -65.99 126.27 28.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 13.0 t70 -48.52 -34.72 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.43 100.94 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -56.03 -24.25 38.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -22.96 64.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.94 133.93 14.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -19.51 36.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 8' ' ' TYR . 36.8 mt -109.58 -51.16 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.2 tt0 48.12 29.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -165.47 110.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 10' ' ' ILE . 19.4 m-85 -131.71 159.6 37.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.537 ' O ' HG22 ' A' ' 37' ' ' VAL . 9.0 m-70 -84.58 151.93 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 3.0 m-85 -68.76 -32.33 72.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.03 -30.08 39.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.559 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -74.37 -33.32 63.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 33' ' ' HIS . 16.8 m -96.66 -26.7 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.77 74.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -140.31 111.19 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.6 p -70.18 -32.76 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.85 159.7 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.42 126.93 6.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.08 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -42.98 -57.16 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.08 -156.86 3.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 137.77 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.464 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.8 t90 -122.01 138.7 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 90.2 m-85 -131.3 120.26 22.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.2 p -43.29 155.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.0 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -82.1 -28.82 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.3 m -89.73 -55.31 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 m -46.6 -30.47 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -40.51 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.14 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -62.98 -39.9 96.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -103.84 -71.92 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.11 162.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -54.38 -22.96 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -85.91 11.92 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 m120 48.53 51.26 15.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.43 159.82 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -55.97 155.46 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.5 p -81.13 92.67 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.42 174.72 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.99 -176.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.21 114.34 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.419 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 23.7 mtp -116.45 141.62 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 20' ' ' VAL . 8.4 p -108.66 106.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.0 121.56 21.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.7 119.91 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.9 t70 -42.43 -36.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -79.46 102.68 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -57.53 -28.61 63.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.94 -17.08 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 t -53.78 134.29 56.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.26 34.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mt -113.68 -50.17 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.4 mt-10 56.64 25.02 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -163.99 124.35 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 3.3 m-85 -144.92 141.2 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.13 149.11 49.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.48 -32.77 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.1 53.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.7 -36.1 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 m -96.71 -26.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.23 74.86 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.3 mt -138.77 112.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.0 p -73.3 -37.03 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.46 158.8 44.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 127.77 3.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.02 4.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -55.96 -53.78 52.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.06 -145.34 2.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -99.03 128.02 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.479 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.9 t90 -108.77 141.76 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 89.8 m-85 -135.0 116.4 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 12.0 p -40.67 155.83 0.19 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.85 -8.4 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -85.52 -30.79 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 m -86.76 -62.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.02 -35.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.93 -42.82 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.9 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.1 mtm -59.66 -39.57 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 mttm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -106.1 112.85 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -127.32 163.75 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.19 -56.25 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 p -91.16 145.26 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -80.89 -9.77 59.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.19 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' ILE . 15.0 m-85 -120.46 -70.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.55 162.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.732 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.4 pt -54.2 -29.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.55 7.67 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m120 55.68 44.59 26.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -123.59 160.8 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' HD2' ' A' ' 16' ' ' TYR . 15.7 m -55.99 162.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.6 m -88.74 89.16 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HD2' HG23 ' A' ' 14' ' ' VAL . 29.9 p90 -122.25 177.56 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.39 179.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 113.63 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.484 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 28.0 mtp -117.14 149.13 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.6 p -113.07 110.73 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.36 121.67 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.08 132.78 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -53.66 -34.06 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -79.82 102.17 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.99 -21.69 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -48.81 134.15 14.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -19.01 36.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 33.8 mt -108.34 -53.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.7 tt0 51.62 25.86 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.15 107.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 5.6 m-85 -128.75 143.95 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.411 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 28.0 m170 -69.36 154.78 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -72.64 -36.73 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.15 -26.27 64.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -76.66 -39.61 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -92.01 -24.11 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 69.16 1.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 47' ' ' TRP . 14.5 mt -131.48 79.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -42.14 -28.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.62 156.95 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.19 134.55 4.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 122.17 8.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -53.52 -51.58 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.2 -148.36 22.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -85.66 132.93 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 74.2 t90 -117.53 129.83 56.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 82.7 m-85 -121.61 123.89 43.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -45.5 155.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.77 -10.92 29.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.732 ' OE1' HG22 ' A' ' 10' ' ' ILE . 22.4 mt-30 -81.72 -29.5 32.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 57' ' ' LYS . 59.2 m -44.53 -32.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.07 -38.36 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.77 -44.46 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -36.35 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HE2' HG22 ' A' ' 53' ' ' THR . 41.6 mttm -60.64 -43.52 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -66.69 -41.9 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -63.6 -32.18 73.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.68 -103.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.1 p -65.82 142.88 57.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 65.3 41.44 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 10.6 p80 -73.48 81.0 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -131.97 95.01 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -122.37 84.2 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.85 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 139.17 39.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.0 m -92.64 103.44 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -148.2 136.88 21.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -125.03 134.14 52.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -67.48 175.59 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.63 -154.28 30.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -158.42 165.64 34.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -87.56 167.64 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.39 109.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.532 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -98.71 -68.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.3 t -45.49 162.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG22 ' OE1' ' A' ' 51' ' ' GLN . 7.6 pt -53.08 -28.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -81.28 11.29 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 48.37 51.97 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -127.15 153.78 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.21 148.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -74.22 113.33 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -139.06 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.29 -162.18 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.74 112.38 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 33' ' ' HIS . 45.3 mmm -114.8 149.04 37.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' VAL . 14.5 p -112.82 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.47 131.2 24.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 t -60.45 126.43 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.2 t70 -49.7 -36.18 24.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -78.78 100.3 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -53.24 -31.39 43.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.2 -24.05 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.32 134.07 17.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -21.03 33.92 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mt -108.68 -51.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.3 tt0 49.8 28.23 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.0 m95 -164.48 112.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.3 m-85 -135.77 145.96 47.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.598 ' CD2' ' SD ' ' A' ' 19' ' ' MET . 32.4 m80 -67.09 157.93 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.84 -32.73 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.91 -25.95 47.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 m -75.04 -34.07 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 33' ' ' HIS . 26.1 m -99.92 -22.55 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.6 74.45 1.28 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -134.88 80.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -41.34 -37.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.02 -179.92 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.52 136.59 90.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.99 4.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -62.69 -52.26 63.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.39 -132.35 1.65 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -106.09 131.96 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.314 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.4 t90 -115.82 144.6 43.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.1 m-85 -138.36 124.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.0 p -46.92 155.62 0.61 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' OE1' HG22 ' A' ' 10' ' ' ILE . 20.0 mt-30 -81.6 -30.42 32.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.9 m -87.91 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.696 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 38.8 m -44.09 -32.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.05 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.25 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 mtm -57.87 -37.31 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.696 ' NZ ' HG22 ' A' ' 53' ' ' THR . 17.0 mtmm -64.3 -46.62 82.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -54.56 -18.56 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -97.45 25.08 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.52 144.34 4.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.8 p -82.33 43.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -95.26 -52.03 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -75.1 129.11 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -60.3 115.22 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 t -110.64 -55.77 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.423 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . -170.49 -144.03 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.423 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 54.1 Cg_endo -69.71 -1.62 8.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.402 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.7 t -54.33 128.93 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -106.08 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.52 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -151.67 159.74 43.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -60.88 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.43 68.76 1.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t -160.38 143.14 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -42.88 128.79 4.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.01 109.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 29' ' ' ILE . 23.5 m-85 -103.86 -67.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -48.51 162.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.504 HG22 ' OE1' ' A' ' 51' ' ' GLN . 6.6 pt -53.39 -27.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.85 9.66 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m120 50.13 50.69 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -125.67 160.11 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -55.98 158.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.8 m -84.73 95.77 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -129.13 176.84 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.45 -174.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.21 113.91 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.438 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 25.2 mtp -117.71 142.66 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 20' ' ' VAL . 10.9 p -108.22 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 128.47 28.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -57.95 125.26 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 t70 -47.71 -32.32 5.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.16 104.12 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.06 -30.18 64.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -23.42 64.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.36 134.07 17.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.69 36.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' TYR . 24.8 mt -109.85 -51.25 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 7.9 tt0 48.38 27.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.8 m95 -164.3 108.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.438 ' N ' ' HE2' ' A' ' 19' ' ' MET . 4.4 m-85 -131.2 152.63 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.695 ' O ' HG22 ' A' ' 37' ' ' VAL . 28.3 m170 -77.92 152.71 33.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.89 -33.01 71.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.48 -30.07 46.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.9 m -75.21 -33.33 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 33' ' ' HIS . 33.3 m -95.25 -25.42 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.09 74.03 1.26 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -141.94 111.07 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -68.62 -34.92 76.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.46 177.43 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.84 130.27 92.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 101.6 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -46.21 62.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.83 -150.83 7.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -93.81 127.27 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.551 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.5 t90 -114.11 133.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 95.5 m-85 -124.2 120.15 31.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.0 p -43.94 155.85 0.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.73 -10.92 29.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.504 ' OE1' HG22 ' A' ' 10' ' ' ILE . 21.3 mt-30 -81.96 -29.5 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -88.01 -56.79 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.619 HG22 ' HE3' ' A' ' 57' ' ' LYS . 24.6 m -44.53 -33.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 -41.0 74.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.05 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.54 -45.19 47.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.75 -37.2 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 53' ' ' THR . 4.1 mtmp? -63.5 -42.29 98.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -48.82 -47.4 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -59.71 -31.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.96 177.22 24.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -68.92 92.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -140.77 173.31 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -112.92 40.95 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -77.09 156.5 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.2 p -98.42 -178.48 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.06 141.4 15.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.77 -8.52 23.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' PRO . 6.2 t -36.35 105.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -103.17 136.23 43.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.168 -0.795 . . . . 0.0 112.453 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -88.18 147.25 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -125.95 169.9 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.31 -149.27 17.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 50.13 40.79 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 124.95 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.04 119.09 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -109.2 -67.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 110.974 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -46.96 162.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 pt -53.27 -27.94 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.82 10.96 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 49.11 52.47 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -127.31 159.83 33.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.95 155.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.7 p -82.53 91.3 6.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -126.94 173.91 9.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.51 -174.11 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.37 116.17 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.421 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 24.9 mtp -120.83 144.21 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.6 p -113.28 105.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.56 124.85 30.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -50.42 133.78 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 6.0 m-20 -54.44 -25.71 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -92.32 103.97 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -54.4 -32.89 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -59.3 -22.34 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.16 133.98 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.68 34.45 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.246 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 31' ' ' TRP . 45.6 mt -105.7 -46.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.6 tt0 44.21 26.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -163.93 107.04 0.95 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' N ' ' HE2' ' A' ' 19' ' ' MET . 22.9 m-85 -128.82 148.47 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.421 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.0 m170 -73.71 154.62 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.32 -39.52 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.61 -25.59 71.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.4 m -77.52 -40.38 42.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 m -92.7 -20.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.46 70.48 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -132.74 88.4 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.8 p -50.32 -35.42 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -146.15 -178.53 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 129.32 94.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.704 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 54.0 Cg_endo -69.71 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.6 mtpm? -37.67 -51.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.24 -161.43 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -77.82 138.32 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.6 t90 -123.81 143.06 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 86.9 m-85 -135.61 120.25 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.9 p -44.91 155.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.78 -10.8 29.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -81.72 -30.32 32.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -87.26 -58.31 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.0 m -44.38 -34.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.44 66.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.57 -48.95 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.1 mtm -57.3 -39.14 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -66.95 -44.91 79.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -55.18 -26.59 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -96.04 24.41 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.84 -150.51 5.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -161.94 131.09 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -129.54 80.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -119.61 95.6 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.8 40.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.0 t -109.02 177.48 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.73 139.58 3.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 127.23 14.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.246 . . . . 0.0 112.383 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 p -89.37 90.95 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -84.63 -49.71 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -120.27 41.87 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -135.4 131.98 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.35 92.16 1.5 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 m -132.28 169.88 15.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -107.02 164.83 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.63 107.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.7 -67.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 110.915 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.62 162.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -52.82 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.76 10.87 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 48.52 54.16 10.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -127.08 160.52 30.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.12 159.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -87.35 92.66 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -128.24 172.34 11.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.17 -164.28 6.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.15 113.48 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.516 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 22.4 mtp -116.92 143.85 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.0 p -109.81 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.89 120.62 16.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -46.43 130.86 10.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -25.6 26.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 27' ' ' CYS . 6.0 t-20 -92.2 104.71 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -55.52 -32.54 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.76 -20.61 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 24' ' ' ASN . 4.1 t -53.15 134.3 50.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.39 32.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.2 mt -105.27 -49.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.4 tt0 48.23 28.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.1 m95 -164.95 105.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.7 147.25 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 26.4 m170 -72.58 156.37 39.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.52 -36.32 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.02 -27.24 60.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.8 m -76.02 -37.54 58.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 33' ' ' HIS . 15.5 m -93.79 -26.18 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.2 68.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -130.08 81.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -43.46 -31.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -148.22 -179.04 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.82 91.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.79 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -57.6 -50.96 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.33 -155.78 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -83.45 134.4 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -121.66 132.36 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -128.73 118.77 23.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 8.7 p -43.88 156.06 0.31 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.1 Cg_endo -69.81 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -82.05 -29.17 32.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.3 m -87.3 -58.16 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.4 m -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.28 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.36 -44.47 44.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.77 -37.06 80.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -62.79 -44.69 95.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -46.48 -46.47 19.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -56.1 -32.2 63.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.78 -98.05 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.8 m -141.0 120.4 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -169.77 154.34 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -64.47 141.63 58.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -82.57 143.12 31.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -40.94 125.63 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.96 177.06 48.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 86.89 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -50.87 117.2 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 t -96.18 145.71 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.506 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -89.25 -175.71 4.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 54.62 52.38 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.57 121.52 4.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 43.9 t -44.19 -49.88 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 7' ' ' GLY . 3.3 m -124.3 -11.95 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 40.57 94.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.55 -71.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.5 t -46.31 163.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.783 HG22 ' OE1' ' A' ' 51' ' ' GLN . 7.0 pt -54.44 -25.77 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.6 p -81.49 10.44 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.54 49.14 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -125.92 155.33 41.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 5' ' ' SER . 12.3 m -55.89 159.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -83.61 97.79 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -133.67 171.56 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.5 -165.53 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.23 113.11 8.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.51 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 25.6 mtp -117.28 142.15 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.4 p -106.08 105.57 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.33 120.99 19.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.5 t -51.64 124.19 11.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.549 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 12.8 m-20 -44.23 -34.83 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -80.82 104.75 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -57.21 -30.26 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.98 -25.15 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 t -43.55 133.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.685 0.755 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -15.43 36.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.619 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 20.9 mt -112.4 -51.69 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.6 tt0 52.54 25.25 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.03 106.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 24.4 m-85 -129.19 144.0 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' O ' HG22 ' A' ' 37' ' ' VAL . 30.9 m170 -68.92 153.23 44.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -25.73 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 m -78.35 -35.34 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 33' ' ' HIS . 29.7 m -96.94 -24.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.24 74.85 1.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 mt -140.54 131.25 25.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.4 p -89.7 -34.59 16.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -149.97 -176.39 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 123.4 85.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -44.19 -52.8 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.2 -149.28 0.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -100.08 132.44 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -119.93 133.09 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 70.8 m-85 -127.15 118.61 24.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -41.63 156.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.783 ' OE1' HG22 ' A' ' 10' ' ' ILE . 16.7 mt-30 -82.65 -28.35 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.4 m -88.57 -57.24 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.704 HG22 ' HE2' ' A' ' 57' ' ' LYS . 58.3 m -44.74 -30.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.01 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.51 -46.63 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.7 mtp -57.71 -37.51 73.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HE2' HG22 ' A' ' 53' ' ' THR . 29.0 mtmt -64.94 -50.17 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -50.2 -46.61 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -56.02 -32.35 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.12 -85.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.5 m -103.31 98.33 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -111.3 156.71 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -121.71 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' SER . 5.0 tmtm? -47.64 -65.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LYS . 6.1 m -36.75 124.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.82 145.67 15.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 173.57 10.76 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 t -117.28 137.22 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -171.78 148.52 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.479 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -97.16 156.43 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -113.21 -48.2 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.14 39.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -76.67 144.8 39.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 14' ' ' VAL . 35.6 m -98.57 -9.2 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 44.12 95.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.52 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 29' ' ' ILE . 13.7 m-85 -114.55 -69.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.65 163.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.603 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.6 pt -53.88 -26.74 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.15 10.67 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 52.07 52.67 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -128.23 156.64 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 6' ' ' SER . 15.7 m -55.9 165.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 p -85.67 96.76 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.93 162.83 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.98 -175.48 7.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 4.9 mp0 -65.16 107.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.513 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 20.9 mtp -112.33 140.63 46.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 20' ' ' VAL . 10.2 p -106.31 107.62 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 30' ' ' GLU . . . -66.71 130.45 31.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.54 120.39 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 28.7 t70 -42.37 -35.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -80.66 102.83 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -56.5 -30.79 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -60.09 -19.98 55.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.99 134.68 58.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.436 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 27.2 mt -106.04 -54.48 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.3 tt0 50.74 28.77 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 m95 -165.52 105.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 4.1 m-85 -129.18 145.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 22.7 m170 -70.79 151.0 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.04 -37.37 83.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.96 -25.14 67.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 m -76.91 -40.27 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -91.5 -25.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.91 69.0 1.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.7 mt -130.41 84.73 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.7 p -47.44 -27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -154.1 -179.98 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.74 130.69 92.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.68 9.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -58.8 -56.48 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.33 -150.84 6.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -89.63 127.14 35.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.414 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.4 t90 -103.54 133.94 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 79.7 m-85 -125.9 117.26 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.4 p -41.8 156.04 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.74 -11.11 30.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.603 ' OE1' HG22 ' A' ' 10' ' ' ILE . 17.9 mt-30 -82.4 -27.87 31.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -90.24 -56.55 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.939 HG22 ' HE2' ' A' ' 57' ' ' LYS . 39.6 m -47.13 -30.13 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.73 -41.15 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.65 48.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.9 mtm -56.68 -39.6 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.939 ' HE2' HG22 ' A' ' 53' ' ' THR . 37.4 mtmt -64.24 -48.43 75.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -43.38 -49.85 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -60.53 -32.24 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -44.33 101.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.9 m -162.18 160.53 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 81.2 mtm-85 -64.12 82.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 62' ' ' ARG . 40.9 m80 -162.77 133.23 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -82.49 104.37 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.4 m -125.44 86.4 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.77 -168.32 22.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.84 26.51 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 98.8 p -57.24 156.66 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.0 p -46.81 -53.73 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.473 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -95.13 141.54 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -103.67 -41.55 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.17 96.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -52.09 157.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 m -160.08 165.14 32.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.97 101.18 0.22 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -104.69 -69.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.981 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.1 t -44.98 162.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.483 HG23 ' CE2' ' A' ' 32' ' ' PHE . 10.1 pt -54.26 -23.46 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.41 11.99 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 m120 49.0 53.91 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -127.92 160.27 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.72 153.74 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -80.43 86.38 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -122.95 175.02 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.74 -179.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.34 110.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.521 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 20.1 mtp -114.11 142.39 46.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -104.94 108.58 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.01 119.09 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -53.28 132.34 38.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.2 t0 -56.51 -38.25 71.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.94 101.73 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -59.74 -16.83 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.71 -8.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.01 134.78 95.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.75 37.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.1 mt -109.13 -52.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.603 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.9 mt-10 60.82 24.98 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.603 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -164.89 129.79 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.521 ' N ' ' HE2' ' A' ' 19' ' ' MET . 29.5 m-85 -145.02 142.62 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 37' ' ' VAL . 8.7 m-70 -71.54 146.9 48.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -65.12 -34.64 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -28.3 57.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 m -75.53 -38.5 59.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.8 m -92.24 -23.01 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.8 72.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.95 109.74 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -68.74 -38.58 80.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.04 166.65 24.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.85 129.9 78.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 109.99 2.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -49.63 -54.36 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.14 -151.38 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -93.13 131.29 38.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 82.6 t90 -115.78 131.47 56.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.5 m-85 -119.81 119.24 33.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.5 p -44.64 156.49 0.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.75 -11.27 30.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 2.0 mt-30 -81.1 -30.21 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.8 m -88.69 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -45.88 -33.91 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.47 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.02 -44.36 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.6 mtm -64.4 -33.47 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -69.21 -37.68 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -65.74 -64.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -57.77 -25.61 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 59' ' ' ARG . . . -45.84 104.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -156.6 135.86 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.53 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -106.69 128.09 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -123.31 87.34 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -146.66 172.51 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.38 155.65 8.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -81.54 46.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -70.23 156.14 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.471 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -78.04 167.77 20.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -131.68 140.25 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.89 -131.91 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -115.16 41.9 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -153.65 154.77 34.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.1 143.73 5.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -126.39 -70.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.962 0.411 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.57 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.884 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.9 pt -55.72 -19.54 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -88.67 11.38 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 50.89 51.96 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -126.49 158.0 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.38 155.17 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -81.44 92.62 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -128.37 176.26 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.87 112.28 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.618 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 24.5 mtp -115.69 141.79 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.76 106.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.14 129.17 43.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.23 116.78 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 24.1 t70 -40.46 -39.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -71.29 101.73 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.81 -19.93 53.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.65 -6.68 50.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -62.91 134.14 95.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.91 36.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.3 mt -113.21 -48.95 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 11.3 mt-10 57.9 25.02 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.16 128.23 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.452 ' N ' ' HE2' ' A' ' 19' ' ' MET . 21.8 m-85 -144.37 141.86 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.618 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 28.9 m170 -70.42 150.07 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.06 -32.29 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.71 -28.64 46.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.6 m -75.62 -34.11 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 33' ' ' HIS . 23.5 m -96.43 -22.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.59 75.52 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 mt -142.98 114.49 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -70.86 -33.95 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -149.34 -179.53 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.99 128.63 93.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 114.91 3.87 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.11 -60.16 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.27 -155.87 5.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -86.73 136.42 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 83.8 t90 -117.78 140.55 49.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 97.3 m-85 -132.4 124.09 28.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.498 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -47.87 155.85 0.78 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.4 Cg_endo -69.84 -10.84 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.884 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.5 mt-30 -81.37 -30.6 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 51.7 m -87.93 -58.16 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.599 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 60.7 m -44.41 -31.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.93 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.16 -45.09 43.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.2 -37.99 84.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.599 ' NZ ' HG22 ' A' ' 53' ' ' THR . 11.4 mtmm -63.73 -47.9 79.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.63 -55.65 8.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 4.6 ptp180 -63.16 -32.52 73.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 59' ' ' ARG . . . -59.92 -106.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -173.34 117.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -76.4 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 66.27 41.79 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -88.82 162.29 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -37.95 129.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.01 -119.7 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -47.04 -52.78 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -108.96 127.26 53.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.525 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.4 t -105.39 86.84 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.4 t -34.93 -60.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 134.31 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -133.48 163.91 28.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 m -84.32 124.43 31.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.63 113.84 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -104.63 -68.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.23 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.491 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.3 pt -54.67 -27.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -81.48 11.7 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.92 52.07 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -126.17 158.56 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.97 155.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -78.7 92.32 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -127.75 175.2 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.2 117.61 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 22.8 mtp -120.98 142.74 49.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.1 p -112.57 107.23 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 30' ' ' GLU . . . -65.02 129.7 35.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.62 124.82 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t70 -44.73 -37.92 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.46 101.26 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.6 -30.37 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.18 -23.15 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.88 134.34 21.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.682 0.754 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.38 36.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 49.7 mt -106.23 -54.04 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.5 tt0 48.05 27.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.3 m95 -164.97 104.98 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 23.0 m-85 -128.28 152.14 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.417 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.5 m170 -77.03 153.24 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -69.35 -39.15 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.73 -23.55 74.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 m -77.93 -41.82 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.08 -21.93 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 71.37 1.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 47' ' ' TRP . 18.9 mt -133.52 84.42 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -47.83 -26.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.87 172.26 18.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.34 130.8 89.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.81 96.26 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -33.95 -58.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.72 -140.38 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -100.21 135.94 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 72.9 t90 -119.37 137.59 53.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 91.7 m-85 -128.53 126.09 39.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.1 p -47.82 155.85 0.77 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.82 -10.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.491 ' OE1' HG22 ' A' ' 10' ' ' ILE . 17.9 mt-30 -81.3 -30.66 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.7 m -88.28 -56.41 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -46.43 -34.31 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.39 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.5 -47.33 41.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.1 mtm -58.07 -38.08 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -59.73 -51.13 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -62.98 -47.26 83.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' GLY . 33.0 mtp180 -61.54 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' ARG . . . -36.82 -55.39 1.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -63.65 82.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -169.35 177.25 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -127.57 144.36 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -123.22 89.58 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -117.26 101.85 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.46 122.38 3.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.27 22.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.372 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m 62.35 41.53 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 m -129.59 139.35 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.494 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -118.41 109.96 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -128.95 131.25 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.15 -45.88 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -45.74 160.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -96.0 164.24 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.54 111.3 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.36 -70.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.41 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.2 t -42.56 164.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.839 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.3 pt -58.05 -19.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -88.94 12.68 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 49.59 50.3 18.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -124.98 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.404 HG23 ' HD1' ' A' ' 16' ' ' TYR . 16.0 m -55.99 155.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -83.04 92.07 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' HD1' HG23 ' A' ' 14' ' ' VAL . 36.7 p90 -129.9 175.71 8.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.35 -164.16 5.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.68 110.36 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 18.5 mtp -114.11 139.56 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.9 p -101.54 108.96 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.47 125.01 30.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.8 125.55 24.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 48.8 t0 -49.81 -40.08 40.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -72.69 101.33 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -58.7 -19.04 36.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.55 -8.7 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.76 134.23 95.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.48 37.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mt -108.24 -52.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.605 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.6 mt-10 61.51 25.03 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.605 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.1 m95 -165.16 130.75 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' HE2' HG23 ' A' ' 10' ' ' ILE . 38.7 m-85 -145.76 140.2 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' O ' HG22 ' A' ' 37' ' ' VAL . 8.3 m-70 -69.07 145.7 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.94 -34.73 78.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.8 -27.12 59.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 m -75.8 -38.65 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 33' ' ' HIS . 28.0 m -91.24 -25.74 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.43 72.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -140.42 113.92 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -75.35 -17.08 60.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -162.04 -177.02 5.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.0 127.08 92.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.86 98.06 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 mtpm? -36.25 -54.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -154.68 6.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -91.45 133.39 35.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.3 t90 -115.72 139.95 49.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -131.2 122.37 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -46.05 155.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.7 Cg_endo -69.72 -11.24 30.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.839 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.2 mt-30 -81.35 -29.34 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.5 m -90.11 -56.9 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.505 HG22 ' HE2' ' A' ' 57' ' ' LYS . 28.1 m -47.57 -29.12 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.19 -43.28 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.84 -50.28 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.9 mtm -56.44 -38.23 71.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HE2' HG22 ' A' ' 53' ' ' THR . 19.6 mtmt -66.42 -46.98 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -53.37 -54.72 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.15 7.53 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.33 71.36 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -153.44 -177.2 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.6 98.55 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -160.85 130.95 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -46.29 128.92 10.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -96.66 130.52 43.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.17 163.96 21.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.17 3.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -130.0 81.51 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.5 p 39.42 42.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.447 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 p -115.98 166.1 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -48.54 165.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.24 -92.72 1.62 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -113.52 130.7 56.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -148.34 138.83 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.82 132.81 1.87 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -119.32 -68.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -46.4 162.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.655 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.5 pt -54.38 -23.67 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -84.46 10.92 9.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 49.74 52.24 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -126.42 159.97 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.97 155.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -82.09 91.68 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -127.89 175.03 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.64 -160.63 6.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.64 113.65 17.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.673 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 17.1 mtp -116.46 136.72 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 20' ' ' VAL . 13.8 p -99.93 108.9 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 121.51 22.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.6 t -57.47 121.64 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t0 -48.11 -35.53 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -77.17 100.98 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.52 -21.8 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.11 -7.46 41.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -65.57 134.48 95.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -17.53 37.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.7 mt -108.63 -52.32 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 17.8 mt-10 61.54 24.98 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.8 m95 -164.36 128.96 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 9.7 m-85 -145.67 141.1 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.673 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.5 m170 -69.86 148.66 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.04 -34.01 77.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.83 -29.71 50.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 m -74.98 -35.19 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.9 m -94.85 -24.6 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.76 74.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 mt -141.55 118.09 10.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.5 p -75.15 -38.62 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.02 176.45 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 127.98 92.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.43 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -41.41 -49.65 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.3 -144.81 1.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -103.15 127.6 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.3 t90 -111.09 151.48 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.0 m-85 -142.97 121.23 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.557 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.1 p -47.01 156.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.7 -11.12 30.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.655 ' OE1' HG22 ' A' ' 10' ' ' ILE . 13.7 mt-30 -81.13 -30.96 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.01 -57.1 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.2 m -45.15 -37.12 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.1 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.82 30.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.0 mtm -62.42 -38.79 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -62.13 -54.63 38.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -44.09 -59.12 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.86 -32.34 73.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.44 70.23 2.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' ARG . 22.8 m -87.63 170.16 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' SER . 2.7 tpm_? -35.07 133.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -80.46 48.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -113.43 87.49 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 t -107.33 -53.21 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 153.53 -140.99 7.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 53.5 Cg_endo -69.8 -8.76 24.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.5 p -107.93 120.59 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 t -96.48 132.49 41.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.52 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -123.3 120.37 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.804 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -98.3 169.63 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.24 -46.38 1.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -51.8 118.36 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB3' HG12 ' A' ' 14' ' ' VAL . 4.8 t -115.16 170.27 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.14 113.47 0.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -114.64 -72.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -42.04 163.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 pt -54.86 -22.53 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -86.12 12.11 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 m120 49.2 48.08 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.76 160.73 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 6' ' ' SER . 15.7 m -55.93 159.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 p -85.03 89.82 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -125.2 175.22 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.09 -173.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.2 116.86 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.481 ' HE2' ' HB3' ' A' ' 31' ' ' TRP . 27.4 mtp -119.01 137.48 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.3 p -100.27 109.64 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.94 119.81 12.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.63 130.26 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.457 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 23.1 t70 -54.78 -37.52 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -73.26 103.28 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.52 -18.48 59.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.73 -7.02 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.46 134.05 95.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.59 35.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -104.32 -52.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.595 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-10 58.74 25.03 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.96 127.91 2.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -145.58 143.85 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 37' ' ' VAL . 8.9 m-70 -71.84 151.13 43.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.02 -34.28 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.56 -29.09 53.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.7 m -74.85 -36.6 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.9 m -93.12 -24.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 74.02 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -141.78 113.12 7.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -71.96 -36.37 69.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 174.19 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.18 123.33 77.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.575 0.702 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.25 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -48.58 -55.13 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.51 -158.06 3.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.86 133.26 35.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 70.6 t90 -116.25 136.44 53.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 90.0 m-85 -124.78 122.06 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.4 p -46.31 156.3 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.71 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -81.27 -30.52 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.48 -56.91 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.483 HG22 ' HE2' ' A' ' 57' ' ' LYS . 86.0 m -46.32 -31.44 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.46 -39.82 52.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -47.39 57.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.8 mtm -56.96 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HE2' HG22 ' A' ' 53' ' ' THR . 27.5 mtmt -64.11 -40.3 95.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -63.7 -36.11 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -87.93 24.95 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.46 -48.41 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 p -141.22 168.31 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.905 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 55.32 50.59 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -165.36 159.77 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.77 119.78 15.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 p -100.55 148.35 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.37 -179.1 17.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 179.1 3.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 t -101.09 82.01 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -64.29 -59.27 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.472 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -170.3 168.2 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -90.81 87.13 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.06 161.06 28.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 m -136.92 158.23 44.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.818 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -74.23 -178.09 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.08 98.47 0.13 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.07 -73.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.39 163.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.495 HG23 ' CE2' ' A' ' 32' ' ' PHE . 22.5 pt -53.96 -26.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -81.62 11.05 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 49.26 51.47 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.85 160.44 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.11 160.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -84.04 91.2 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -128.89 169.27 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.76 176.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 15.1 mp0 -59.11 107.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 23.5 mtp -107.94 144.53 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.5 p -107.81 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.55 132.82 35.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.09 121.39 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 14.7 m-20 -42.39 -27.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -91.26 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.5 -29.73 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.89 -18.6 60.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.5 t -53.74 134.01 55.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -17.68 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.472 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 14.7 mt -110.6 -46.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.9 tt0 45.53 27.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -164.19 111.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 10' ' ' ILE . 25.0 m-85 -134.42 146.16 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 26.0 m170 -70.29 151.55 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.1 -33.29 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.75 -27.01 55.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.55 -34.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.82 -26.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.33 75.07 1.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -143.18 140.67 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.4 p -102.65 -17.67 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.43 162.6 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.62 126.46 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -40.41 -51.65 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.34 -146.07 2.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.52 135.62 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -121.68 138.37 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 87.4 m-85 -133.93 123.0 23.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 10.2 p -46.6 155.74 0.56 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.74 -10.84 29.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.427 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.1 mt-30 -81.52 -30.33 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.9 m -87.67 -58.23 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -44.25 -33.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.19 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.4 -44.74 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtm -62.12 -36.14 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -64.71 -46.14 83.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -52.2 -35.34 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.3 mtt-85 -91.78 24.92 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.01 -96.48 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 p -79.32 -62.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 160.09 28.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -78.4 177.58 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' LYS . 2.8 pptp? -110.09 167.02 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -72.62 129.48 38.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.58 139.8 7.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 131.71 21.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -64.74 96.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -121.8 89.24 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.521 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -110.68 82.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -99.56 120.69 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.38 88.0 2.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLY . 68.2 m -110.11 -10.53 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 42.41 95.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.444 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -113.32 -74.75 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -46.74 162.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 pt -53.15 -29.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -78.11 9.58 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 m120 53.33 49.54 19.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -126.55 157.18 39.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -55.84 163.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 m -85.72 95.85 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -127.28 172.05 10.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.2 -178.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.92 116.79 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.474 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 26.4 mtp -119.84 141.7 49.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.3 p -105.75 105.48 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.43 125.87 29.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.6 t -55.04 125.79 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 9.4 m-20 -47.84 -30.56 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -84.39 102.8 13.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -55.44 -31.53 62.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -24.57 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.51 134.06 7.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -19.99 35.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.3 mt -107.53 -51.53 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.0 tt0 49.58 26.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.2 m95 -164.46 106.22 0.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' N ' ' HE2' ' A' ' 19' ' ' MET . 7.1 m-85 -128.76 145.9 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 23.8 m170 -71.6 150.64 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.85 -33.55 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.16 -25.23 59.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.0 m -78.07 -36.38 48.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 33' ' ' HIS . 17.0 m -94.54 -23.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.42 73.6 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -140.17 109.24 6.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -67.52 -38.35 84.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -140.77 -177.63 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.93 131.92 87.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 113.01 3.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -52.52 -49.73 64.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -154.67 24.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -84.66 140.9 31.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 90.6 t90 -123.97 139.44 53.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 75.5 m-85 -130.43 120.03 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 11.3 p -45.17 156.11 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.665 0.745 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.79 -10.73 29.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -81.59 -31.04 32.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.3 m -85.96 -56.56 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.7 m -44.44 -39.26 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.37 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.71 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.0 mtp -61.81 -36.41 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -62.91 -42.54 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -88.04 25.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.55 47.34 2.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -67.76 98.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 -30.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -70.19 -44.28 69.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -46.52 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -92.26 143.56 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.04 76.37 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.92 22.28 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 p -45.0 103.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -58.71 164.49 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.472 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -84.73 113.47 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -121.66 109.92 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.7 133.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -70.7 -47.76 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -129.46 142.83 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.1 118.19 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.21 -71.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -43.91 163.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -54.33 -25.55 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.56 11.19 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 49.7 51.47 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.58 159.72 31.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.01 156.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -83.09 93.19 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -131.34 174.45 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.04 -169.94 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -70.61 107.91 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.589 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 19.3 mtp -111.29 141.87 44.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.5 p -107.14 106.84 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.19 128.35 41.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.52 125.7 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.8 t0 -49.18 -36.27 19.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -76.04 102.66 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -61.59 -18.55 59.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -75.91 -4.35 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 t -67.37 134.85 93.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.71 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.7 mt -105.3 -52.79 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 14.1 mt-10 59.08 25.02 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.27 127.53 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.429 ' N ' ' HE2' ' A' ' 19' ' ' MET . 27.5 m-85 -145.26 139.89 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.589 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.4 m170 -69.32 152.51 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.52 -36.43 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.9 -27.45 60.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 m -75.93 -36.94 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 33' ' ' HIS . 14.6 m -94.42 -20.32 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 68.2 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.8 mt -129.43 86.79 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.1 p -50.37 -30.96 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -149.86 162.82 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.25 133.22 60.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -47.41 -53.63 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.35 -149.87 14.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -89.37 129.87 35.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -110.4 143.27 40.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.6 m-85 -128.58 119.12 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.6 p -44.86 156.28 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.7 -11.04 30.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -81.65 -29.38 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.7 m -88.75 -57.35 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.479 ' CG2' ' HE3' ' A' ' 57' ' ' LYS . 88.8 m -45.2 -29.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.48 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.05 -45.07 59.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.6 mtm -64.24 -40.36 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HE3' ' CG2' ' A' ' 53' ' ' THR . 46.2 mttt -63.51 -52.84 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -55.01 -43.9 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -63.87 -30.56 71.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.6 -90.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.529 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.0 t -127.09 129.58 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -78.98 -47.12 16.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -92.82 101.16 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -89.04 114.76 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 m -85.17 132.74 34.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.06 133.31 45.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.62 67.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.0 t -54.61 -58.15 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.3 p -50.69 135.06 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.493 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -83.26 -55.22 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -102.89 170.72 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 178.29 30.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -101.37 95.46 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -90.78 160.29 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.4 125.44 0.91 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.405 ' O ' HG23 ' A' ' 29' ' ' ILE . 26.1 m-85 -108.04 -68.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.12 163.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 pt -53.68 -24.19 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.8 p -84.77 11.74 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 48.27 50.08 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -123.52 161.5 24.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HD2' ' A' ' 16' ' ' TYR . 16.4 m -55.98 155.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -80.74 87.75 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.449 ' HD2' HG23 ' A' ' 14' ' ' VAL . 12.0 p90 -126.58 174.95 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.92 177.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 18' ' ' GLU . 30.0 mp0 -59.12 106.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.509 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 20.9 mtp -107.43 143.92 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.48 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.4 127.15 39.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.08 125.48 23.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.5 t70 -48.11 -37.68 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.05 102.33 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.61 -22.73 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -69.47 -8.1 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 t -64.36 134.64 96.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.83 34.39 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.498 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 17.6 mt -101.84 -53.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 13.2 mt-10 59.18 25.0 13.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.588 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.4 125.24 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.498 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 46.7 m-85 -145.64 138.06 25.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 37' ' ' VAL . 20.7 m170 -67.11 148.83 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -66.7 -33.2 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.97 -28.44 54.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.0 m -74.96 -35.73 62.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 33' ' ' HIS . 33.8 m -93.47 -25.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.66 72.66 1.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 47' ' ' TRP . 60.5 mt -141.3 124.22 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -81.41 -39.49 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.17 160.41 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.51 127.07 7.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 99.69 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -43.68 -48.72 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.14 -144.54 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -103.52 126.85 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.474 ' CD1' HD11 ' A' ' 39' ' ' LEU . 86.5 t90 -110.46 135.37 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 94.0 m-85 -128.65 117.17 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.451 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.9 p -43.13 156.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.73 -10.88 29.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 112.392 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' OE1' HD11 ' A' ' 29' ' ' ILE . 13.3 mt-30 -82.05 -29.26 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -88.81 -55.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -46.29 -36.36 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.89 88.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 -42.44 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.4 mtm -65.63 -40.04 92.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -55.79 -44.79 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -47.38 -46.75 26.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -70.48 -32.32 69.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.53 127.74 2.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -130.36 99.68 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.03 110.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -161.27 123.35 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -162.11 135.07 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.96 124.51 6.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.52 10.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 t -49.38 130.61 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -50.34 141.26 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.539 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.7 p -57.86 165.24 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -123.08 41.68 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.0 58.54 0.63 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -53.2 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -82.66 169.54 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.44 119.61 0.69 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -118.84 -75.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -41.45 163.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.849 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.8 pt -54.99 -26.58 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.95 10.77 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 3.3 t30 50.21 51.1 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -126.42 160.8 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.09 163.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -88.29 89.99 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -122.83 175.68 6.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.4 -176.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.8 114.81 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.551 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 25.8 mtp -116.3 149.4 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 p -117.13 108.32 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 121.18 15.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 t -46.55 137.2 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.579 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 7.6 t70 -59.1 -29.07 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -82.19 116.3 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.83 -11.68 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.79 2.12 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.16 135.38 91.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.94 33.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.471 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 12.2 mt -115.47 -55.17 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 27.6 mt-10 63.18 25.02 14.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.2 m95 -164.04 125.03 2.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 10' ' ' ILE . 23.8 m-85 -143.04 139.84 30.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.551 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.9 m170 -68.86 151.22 46.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -68.8 -35.69 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.26 -25.89 62.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 m -77.33 -38.76 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 m -94.88 -19.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.82 72.33 1.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -133.48 81.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -43.13 -29.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -155.77 179.96 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.93 134.4 92.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.9 Cg_endo -69.73 100.1 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -34.3 -61.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.29 -142.81 6.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 140.15 29.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 88.5 t90 -121.41 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -126.22 117.76 23.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.4 p -42.27 156.01 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.69 -10.66 29.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.849 ' OE1' HG22 ' A' ' 10' ' ' ILE . 16.8 mt-30 -82.95 -28.26 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.0 m -88.75 -57.03 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -46.74 -28.63 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -39.22 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.57 -48.27 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.5 mtm -56.88 -39.09 73.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -64.25 -50.42 68.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -48.7 -48.14 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -58.15 -32.42 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 95.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m 63.09 29.65 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.82 161.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -145.05 157.98 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -94.71 132.98 38.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 t -133.41 152.66 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.05 142.23 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.485 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.1 19.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -111.17 144.8 39.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 t -75.81 113.89 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.456 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -65.64 142.7 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -116.71 132.19 56.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.06 101.95 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -92.46 147.5 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -79.95 134.2 36.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.81 113.74 0.48 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 29' ' ' ILE . 25.1 m-85 -99.92 -68.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.948 0.404 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.37 162.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG23 ' CE2' ' A' ' 32' ' ' PHE . 8.5 pt -53.76 -28.01 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -80.65 11.21 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m120 47.43 54.18 9.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.16 154.51 45.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 m -56.15 155.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -79.73 116.79 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -137.67 177.72 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.87 -135.83 5.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 12.6 mt-10 -102.68 116.13 31.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.498 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 21.1 mtp -111.15 144.43 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.2 p -108.34 109.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.0 135.44 22.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 t -65.99 126.27 28.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 13.0 t70 -48.52 -34.72 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.43 100.94 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -56.03 -24.25 38.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -22.96 64.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.94 133.93 14.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -19.51 36.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 8' ' ' TYR . 36.8 mt -109.58 -51.16 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.2 tt0 48.12 29.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -165.47 110.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 10' ' ' ILE . 19.4 m-85 -131.71 159.6 37.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.537 ' O ' HG22 ' A' ' 37' ' ' VAL . 32.9 m170 -84.58 151.93 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 3.0 m-85 -68.76 -32.33 72.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.03 -30.08 39.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.559 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -74.37 -33.32 63.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 33' ' ' HIS . 16.8 m -96.66 -26.7 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.77 74.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -140.31 111.19 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.6 p -70.18 -32.76 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.85 159.7 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.42 126.93 6.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.08 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -42.98 -57.16 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.08 -156.86 3.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 137.77 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.464 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.8 t90 -122.01 138.7 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 90.2 m-85 -131.3 120.26 22.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.2 p -43.29 155.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.0 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -82.1 -28.82 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.3 m -89.73 -55.31 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 m -46.6 -30.47 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -40.51 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.14 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -62.98 -39.9 96.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -57.26 -50.97 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -57.04 -45.99 82.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -59.97 -32.32 70.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.64 38.17 2.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -119.72 158.79 25.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 10.1 ttm105 -55.55 157.21 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -125.36 127.35 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 72.72 40.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.6 p -64.68 89.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.75 -149.46 6.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.1 p -118.79 93.13 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -86.15 -49.66 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.475 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -120.73 92.56 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -110.48 154.68 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.7 114.16 2.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -65.41 161.4 19.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -99.42 173.75 6.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.49 105.73 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.545 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -103.84 -71.92 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.11 162.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -54.38 -22.96 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -85.91 11.92 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 m120 48.53 51.26 15.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.43 159.82 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -55.97 155.46 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.5 p -81.13 92.67 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.42 174.72 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.99 -176.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.21 114.34 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.462 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 23.7 mtp -116.45 141.62 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 20' ' ' VAL . 8.4 p -108.66 106.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.0 121.56 21.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.7 119.91 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.9 t70 -42.43 -36.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -79.46 102.68 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -57.53 -28.61 63.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.94 -17.08 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 t -53.78 134.29 56.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.26 34.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mt -113.68 -50.17 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.4 mt-10 56.64 25.02 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -163.99 124.35 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 3.3 m-85 -144.92 141.2 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.462 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 20.8 m170 -69.13 149.11 49.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.48 -32.77 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.1 53.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.7 -36.1 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 m -96.71 -26.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.23 74.86 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.3 mt -138.77 112.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.0 p -73.3 -37.03 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.46 158.8 44.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 127.77 3.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.02 4.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -55.96 -53.78 52.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.06 -145.34 2.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -99.03 128.02 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.479 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.9 t90 -108.77 141.76 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 89.8 m-85 -135.0 116.4 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 12.0 p -40.67 155.83 0.19 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.85 -8.4 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -85.52 -30.79 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 m -86.76 -62.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.02 -35.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.93 -42.82 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.9 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.1 mtm -59.66 -39.57 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 60' ' ' GLY . 27.2 mttm -63.45 -43.99 95.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -42.48 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' LYS . 75.1 mtm180 -88.38 24.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' LYS . . . 157.34 48.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -124.49 81.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -173.57 145.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 41.4 m80 -86.35 81.68 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 63' ' ' HIS . 20.5 ttpt -34.9 139.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -158.37 173.8 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.74 -84.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.34 27.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.9 m -124.52 110.33 14.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -40.62 137.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.519 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' ILE . 15.0 m-85 -120.46 -70.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.55 162.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.732 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.4 pt -54.2 -29.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.55 7.67 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m120 55.68 44.59 26.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -123.59 160.8 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' HD2' ' A' ' 16' ' ' TYR . 15.7 m -55.99 162.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.6 m -88.74 89.16 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HD2' HG23 ' A' ' 14' ' ' VAL . 29.9 p90 -122.25 177.56 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.39 179.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 113.63 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.614 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 28.0 mtp -117.14 149.13 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.6 p -113.07 110.73 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.36 121.67 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.08 132.78 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -53.66 -34.06 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -79.82 102.17 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.99 -21.69 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -48.81 134.15 14.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -19.01 36.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 33.8 mt -108.34 -53.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.7 tt0 51.62 25.86 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.614 ' C ' ' HE2' ' A' ' 19' ' ' MET . 99.4 m95 -164.15 107.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' C ' ' HE3' ' A' ' 19' ' ' MET . 5.6 m-85 -128.75 143.95 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -69.36 154.78 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -72.64 -36.73 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.15 -26.27 64.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -76.66 -39.61 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -92.01 -24.11 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 69.16 1.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 47' ' ' TRP . 14.5 mt -131.48 79.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -42.14 -28.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.62 156.95 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.19 134.55 4.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 122.17 8.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -53.52 -51.58 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.2 -148.36 22.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -85.66 132.93 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 74.2 t90 -117.53 129.83 56.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 82.7 m-85 -121.61 123.89 43.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -45.5 155.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.77 -10.92 29.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.732 ' OE1' HG22 ' A' ' 10' ' ' ILE . 22.4 mt-30 -81.72 -29.5 32.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 57' ' ' LYS . 59.2 m -44.53 -32.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.07 -38.36 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.77 -44.46 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -36.35 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HE2' HG22 ' A' ' 53' ' ' THR . 41.6 mttm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -98.71 -68.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.3 t -45.49 162.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.434 HG22 ' OE1' ' A' ' 51' ' ' GLN . 7.6 pt -53.08 -28.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -81.28 11.29 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 48.37 51.97 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -127.15 153.78 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.21 148.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -74.22 113.33 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -139.06 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.29 -162.18 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.74 112.38 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 33' ' ' HIS . 45.3 mmm -114.8 149.04 37.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' VAL . 14.5 p -112.82 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.47 131.2 24.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 t -60.45 126.43 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.2 t70 -49.7 -36.18 24.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -78.78 100.3 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -53.24 -31.39 43.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.2 -24.05 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.32 134.07 17.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -21.03 33.92 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mt -108.68 -51.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.3 tt0 49.8 28.23 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.0 m95 -164.48 112.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.3 m-85 -135.77 145.96 47.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.598 ' CD2' ' SD ' ' A' ' 19' ' ' MET . 32.4 m80 -67.09 157.93 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.84 -32.73 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.91 -25.95 47.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 m -75.04 -34.07 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 33' ' ' HIS . 26.1 m -99.92 -22.55 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.6 74.45 1.28 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -134.88 80.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -41.34 -37.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.02 -179.92 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.52 136.59 90.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.99 4.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -62.69 -52.26 63.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.39 -132.35 1.65 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -106.09 131.96 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.314 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.4 t90 -115.82 144.6 43.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.1 m-85 -138.36 124.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.0 p -46.92 155.62 0.61 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' OE1' HG22 ' A' ' 10' ' ' ILE . 20.0 mt-30 -81.6 -30.42 32.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.9 m -87.91 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.696 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 38.8 m -44.09 -32.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.05 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.25 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 mtm -57.87 -37.31 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.696 ' NZ ' HG22 ' A' ' 53' ' ' THR . 17.0 mtmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 29' ' ' ILE . 23.5 m-85 -103.86 -67.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -48.51 162.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.504 HG22 ' OE1' ' A' ' 51' ' ' GLN . 6.6 pt -53.39 -27.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.85 9.66 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m120 50.13 50.69 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -125.67 160.11 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -55.98 158.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.8 m -84.73 95.77 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -129.13 176.84 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.45 -174.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.21 113.91 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.448 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 25.2 mtp -117.71 142.66 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 20' ' ' VAL . 10.9 p -108.22 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 128.47 28.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -57.95 125.26 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 t70 -47.71 -32.32 5.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.16 104.12 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.06 -30.18 64.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -23.42 64.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.36 134.07 17.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.69 36.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' TYR . 24.8 mt -109.85 -51.25 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 7.9 tt0 48.38 27.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.8 m95 -164.3 108.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' N ' ' HE2' ' A' ' 19' ' ' MET . 4.4 m-85 -131.2 152.63 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.695 ' O ' HG22 ' A' ' 37' ' ' VAL . 28.3 m170 -77.92 152.71 33.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.89 -33.01 71.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.48 -30.07 46.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.9 m -75.21 -33.33 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 33' ' ' HIS . 33.3 m -95.25 -25.42 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.09 74.03 1.26 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -141.94 111.07 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -68.62 -34.92 76.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.46 177.43 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.84 130.27 92.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 101.6 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -46.21 62.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.83 -150.83 7.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -93.81 127.27 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.551 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.5 t90 -114.11 133.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 95.5 m-85 -124.2 120.15 31.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.0 p -43.94 155.85 0.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.73 -10.92 29.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.504 ' OE1' HG22 ' A' ' 10' ' ' ILE . 21.3 mt-30 -81.96 -29.5 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -88.01 -56.79 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.619 HG22 ' HE3' ' A' ' 57' ' ' LYS . 24.6 m -44.53 -33.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 -41.0 74.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.05 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.54 -45.19 47.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.75 -37.2 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 53' ' ' THR . 4.1 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -109.2 -67.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 110.974 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -46.96 162.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 pt -53.27 -27.94 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.82 10.96 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 49.11 52.47 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -127.31 159.83 33.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.95 155.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.7 p -82.53 91.3 6.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -126.94 173.91 9.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.51 -174.11 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.37 116.17 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.518 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 24.9 mtp -120.83 144.21 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.6 p -113.28 105.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.56 124.85 30.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -50.42 133.78 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 6.0 m-20 -54.44 -25.71 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -92.32 103.97 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -54.4 -32.89 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -59.3 -22.34 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.16 133.98 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.68 34.45 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.246 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.503 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 45.6 mt -105.7 -46.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.6 tt0 44.21 26.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -163.93 107.04 0.95 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' N ' ' HE2' ' A' ' 19' ' ' MET . 22.9 m-85 -128.82 148.47 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -73.71 154.62 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.32 -39.52 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.61 -25.59 71.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.4 m -77.52 -40.38 42.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 m -92.7 -20.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.46 70.48 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -132.74 88.4 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.8 p -50.32 -35.42 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -146.15 -178.53 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 129.32 94.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.704 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 54.0 Cg_endo -69.71 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.6 mtpm? -37.67 -51.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.24 -161.43 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -77.82 138.32 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.6 t90 -123.81 143.06 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 86.9 m-85 -135.61 120.25 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.9 p -44.91 155.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.78 -10.8 29.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.3 mt-30 -81.72 -30.32 32.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -87.26 -58.31 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.0 m -44.38 -34.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.44 66.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.57 -48.95 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.1 mtm -57.3 -39.14 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 mttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.7 -67.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 110.915 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.62 162.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -52.82 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.76 10.87 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 48.52 54.16 10.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -127.08 160.52 30.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.12 159.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -87.35 92.66 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -128.24 172.34 11.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.17 -164.28 6.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.15 113.48 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.506 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 22.4 mtp -116.92 143.85 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.0 p -109.81 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.89 120.62 16.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -46.43 130.86 10.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -25.6 26.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 26' ' ' ASP . 63.2 t30 -92.2 104.71 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -55.52 -32.54 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HB2' ' ND2' ' A' ' 24' ' ' ASN . 9.6 m-20 -57.76 -20.61 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 24' ' ' ASN . 4.1 t -53.15 134.3 50.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.39 32.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.2 mt -105.27 -49.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.4 tt0 48.23 28.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.1 m95 -164.95 105.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.7 147.25 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 37' ' ' VAL . 26.4 m170 -72.58 156.37 39.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.52 -36.32 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.02 -27.24 60.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.8 m -76.02 -37.54 58.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 33' ' ' HIS . 15.5 m -93.79 -26.18 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.2 68.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -130.08 81.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -43.46 -31.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -148.22 -179.04 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.82 91.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.79 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -57.6 -50.96 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.33 -155.78 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -83.45 134.4 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -121.66 132.36 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -128.73 118.77 23.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 8.7 p -43.88 156.06 0.31 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.1 Cg_endo -69.81 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -82.05 -29.17 32.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.3 m -87.3 -58.16 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.4 m -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.28 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.36 -44.47 44.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.77 -37.06 80.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.55 -71.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.5 t -46.31 163.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.783 HG22 ' OE1' ' A' ' 51' ' ' GLN . 7.0 pt -54.44 -25.77 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.6 p -81.49 10.44 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.54 49.14 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -125.92 155.33 41.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.89 159.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -83.61 97.79 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -133.67 171.56 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.5 -165.53 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.23 113.11 8.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 25.6 mtp -117.28 142.15 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.4 p -106.08 105.57 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.33 120.99 19.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.5 t -51.64 124.19 11.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.549 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 12.8 m-20 -44.23 -34.83 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -80.82 104.75 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -57.21 -30.26 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.98 -25.15 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 t -43.55 133.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.685 0.755 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -15.43 36.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.619 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 20.9 mt -112.4 -51.69 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.6 tt0 52.54 25.25 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.565 ' C ' ' HE2' ' A' ' 19' ' ' MET . 99.4 m95 -164.03 106.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 24.4 m-85 -129.19 144.0 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' O ' HG22 ' A' ' 37' ' ' VAL . 30.9 m170 -68.92 153.23 44.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -25.73 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 m -78.35 -35.34 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 33' ' ' HIS . 29.7 m -96.94 -24.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.24 74.85 1.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 mt -140.54 131.25 25.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.4 p -89.7 -34.59 16.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -149.97 -176.39 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 123.4 85.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -44.19 -52.8 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.2 -149.28 0.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -100.08 132.44 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -119.93 133.09 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 70.8 m-85 -127.15 118.61 24.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -41.63 156.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.783 ' OE1' HG22 ' A' ' 10' ' ' ILE . 16.7 mt-30 -82.65 -28.35 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.4 m -88.57 -57.24 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.704 HG22 ' HE2' ' A' ' 57' ' ' LYS . 58.3 m -44.74 -30.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.01 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.51 -46.63 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.7 mtp -57.71 -37.51 73.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HE2' HG22 ' A' ' 53' ' ' THR . 29.0 mtmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 29' ' ' ILE . 13.7 m-85 -114.55 -69.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.65 163.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.603 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.6 pt -53.88 -26.74 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.15 10.67 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 52.07 52.67 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -128.23 156.64 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.9 165.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 p -85.67 96.76 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.93 162.83 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.98 -175.48 7.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 4.9 mp0 -65.16 107.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.539 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 20.9 mtp -112.33 140.63 46.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 20' ' ' VAL . 10.2 p -106.31 107.62 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 30' ' ' GLU . . . -66.71 130.45 31.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.54 120.39 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 28.7 t70 -42.37 -35.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -80.66 102.83 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -56.5 -30.79 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -60.09 -19.98 55.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.99 134.68 58.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.436 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 27.2 mt -106.04 -54.48 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.3 tt0 50.74 28.77 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 m95 -165.52 105.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 4.1 m-85 -129.18 145.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -70.79 151.0 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.04 -37.37 83.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.96 -25.14 67.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 m -76.91 -40.27 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -91.5 -25.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.91 69.0 1.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.7 mt -130.41 84.73 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.7 p -47.44 -27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -154.1 -179.98 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.74 130.69 92.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.68 9.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -58.8 -56.48 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.33 -150.84 6.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -89.63 127.14 35.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.414 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.4 t90 -103.54 133.94 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 79.7 m-85 -125.9 117.26 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.4 p -41.8 156.04 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.74 -11.11 30.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.603 ' OE1' HG22 ' A' ' 10' ' ' ILE . 17.9 mt-30 -82.4 -27.87 31.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -90.24 -56.55 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.939 HG22 ' HE2' ' A' ' 57' ' ' LYS . 39.6 m -47.13 -30.13 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.73 -41.15 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.65 48.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.9 mtm -56.68 -39.6 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.939 ' HE2' HG22 ' A' ' 53' ' ' THR . 37.4 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -104.69 -69.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.981 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.1 t -44.98 162.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.483 HG23 ' CE2' ' A' ' 32' ' ' PHE . 10.1 pt -54.26 -23.46 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.41 11.99 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 m120 49.0 53.91 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -127.92 160.27 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.72 153.74 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -80.43 86.38 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -122.95 175.02 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.74 -179.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.34 110.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.507 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 20.1 mtp -114.11 142.39 46.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -104.94 108.58 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.01 119.09 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -53.28 132.34 38.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.2 t0 -56.51 -38.25 71.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.94 101.73 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -59.74 -16.83 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.71 -8.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.01 134.78 95.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.75 37.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.1 mt -109.13 -52.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.603 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.9 mt-10 60.82 24.98 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.603 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -164.89 129.79 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' N ' ' HE2' ' A' ' 19' ' ' MET . 29.5 m-85 -145.02 142.62 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 37' ' ' VAL . 23.5 m170 -71.54 146.9 48.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -65.12 -34.64 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -28.3 57.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 m -75.53 -38.5 59.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.8 m -92.24 -23.01 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.8 72.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.95 109.74 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -68.74 -38.58 80.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.04 166.65 24.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.85 129.9 78.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 109.99 2.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -49.63 -54.36 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.14 -151.38 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -93.13 131.29 38.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 82.6 t90 -115.78 131.47 56.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.5 m-85 -119.81 119.24 33.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.5 p -44.64 156.49 0.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.75 -11.27 30.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 2.0 mt-30 -81.1 -30.21 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.8 m -88.69 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -45.88 -33.91 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.47 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.02 -44.36 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.6 mtm -64.4 -33.47 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -126.39 -70.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.962 0.411 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.57 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.884 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.9 pt -55.72 -19.54 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -88.67 11.38 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 50.89 51.96 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -126.49 158.0 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.38 155.17 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -81.44 92.62 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -128.37 176.26 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.87 112.28 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.489 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 24.5 mtp -115.69 141.79 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.76 106.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.14 129.17 43.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.23 116.78 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 24.1 t70 -40.46 -39.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -71.29 101.73 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.81 -19.93 53.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.65 -6.68 50.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -62.91 134.14 95.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.91 36.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.3 mt -113.21 -48.95 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 11.3 mt-10 57.9 25.02 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.16 128.23 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' N ' ' HE2' ' A' ' 19' ' ' MET . 21.8 m-85 -144.37 141.86 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 37' ' ' VAL . 28.9 m170 -70.42 150.07 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.06 -32.29 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.71 -28.64 46.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.6 m -75.62 -34.11 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 33' ' ' HIS . 23.5 m -96.43 -22.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.59 75.52 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 mt -142.98 114.49 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -70.86 -33.95 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -149.34 -179.53 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.99 128.63 93.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 114.91 3.87 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.11 -60.16 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.27 -155.87 5.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -86.73 136.42 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 83.8 t90 -117.78 140.55 49.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 97.3 m-85 -132.4 124.09 28.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.498 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -47.87 155.85 0.78 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.4 Cg_endo -69.84 -10.84 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.884 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.5 mt-30 -81.37 -30.6 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 51.7 m -87.93 -58.16 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.599 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 60.7 m -44.41 -31.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.93 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.16 -45.09 43.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.2 -37.99 84.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.599 ' NZ ' HG22 ' A' ' 53' ' ' THR . 11.4 mtmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -104.63 -68.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.23 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.491 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.3 pt -54.67 -27.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -81.48 11.7 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 48.92 52.07 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -126.17 158.56 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.97 155.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -78.7 92.32 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -127.75 175.2 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.2 117.61 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.525 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 22.8 mtp -120.98 142.74 49.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.1 p -112.57 107.23 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 30' ' ' GLU . . . -65.02 129.7 35.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.62 124.82 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t70 -44.73 -37.92 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.46 101.26 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.6 -30.37 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.18 -23.15 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.88 134.34 21.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.682 0.754 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.38 36.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 49.7 mt -106.23 -54.04 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.5 tt0 48.05 27.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.3 m95 -164.97 104.98 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 23.0 m-85 -128.28 152.14 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -77.03 153.24 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -69.35 -39.15 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.73 -23.55 74.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 m -77.93 -41.82 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.08 -21.93 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 71.37 1.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 47' ' ' TRP . 18.9 mt -133.52 84.42 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -47.83 -26.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.87 172.26 18.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.34 130.8 89.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.81 96.26 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -33.95 -58.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.72 -140.38 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -100.21 135.94 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 72.9 t90 -119.37 137.59 53.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 91.7 m-85 -128.53 126.09 39.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.1 p -47.82 155.85 0.77 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.82 -10.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.491 ' OE1' HG22 ' A' ' 10' ' ' ILE . 17.9 mt-30 -81.3 -30.66 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.7 m -88.28 -56.41 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -46.43 -34.31 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.39 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.5 -47.33 41.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.1 mtm -58.07 -38.08 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.36 -70.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.41 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.2 t -42.56 164.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.839 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.3 pt -58.05 -19.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -88.94 12.68 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 49.59 50.3 18.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -124.98 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.404 HG23 ' HD1' ' A' ' 16' ' ' TYR . 16.0 m -55.99 155.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -83.04 92.07 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' HD1' HG23 ' A' ' 14' ' ' VAL . 36.7 p90 -129.9 175.71 8.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.35 -164.16 5.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.68 110.36 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.513 ' HE2' ' HB3' ' A' ' 31' ' ' TRP . 18.5 mtp -114.11 139.56 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.9 p -101.54 108.96 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.47 125.01 30.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.8 125.55 24.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 48.8 t0 -49.81 -40.08 40.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -72.69 101.33 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -58.7 -19.04 36.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.55 -8.7 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.76 134.23 95.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.48 37.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mt -108.24 -52.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.605 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.6 mt-10 61.51 25.03 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.605 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.1 m95 -165.16 130.75 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.474 ' N ' ' HE2' ' A' ' 19' ' ' MET . 38.7 m-85 -145.76 140.2 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' O ' HG22 ' A' ' 37' ' ' VAL . 22.2 m170 -69.07 145.7 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.94 -34.73 78.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.8 -27.12 59.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 m -75.8 -38.65 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 33' ' ' HIS . 28.0 m -91.24 -25.74 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.43 72.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -140.42 113.92 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -75.35 -17.08 60.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -162.04 -177.02 5.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.0 127.08 92.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.86 98.06 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 mtpm? -36.25 -54.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -154.68 6.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -91.45 133.39 35.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.3 t90 -115.72 139.95 49.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -131.2 122.37 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -46.05 155.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.7 Cg_endo -69.72 -11.24 30.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.839 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.2 mt-30 -81.35 -29.34 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.5 m -90.11 -56.9 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.505 HG22 ' HE2' ' A' ' 57' ' ' LYS . 28.1 m -47.57 -29.12 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.19 -43.28 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.84 -50.28 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.9 mtm -56.44 -38.23 71.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HE2' HG22 ' A' ' 53' ' ' THR . 19.6 mtmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -119.32 -68.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -46.4 162.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.655 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.5 pt -54.38 -23.67 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -84.46 10.92 9.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 49.74 52.24 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -126.42 159.97 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.97 155.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -82.09 91.68 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -127.89 175.03 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.64 -160.63 6.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.64 113.65 17.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 31' ' ' TRP . 17.1 mtp -116.46 136.72 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 20' ' ' VAL . 13.8 p -99.93 108.9 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 121.51 22.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.6 t -57.47 121.64 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t0 -48.11 -35.53 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -77.17 100.98 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.52 -21.8 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.11 -7.46 41.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -65.57 134.48 95.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -17.53 37.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.7 mt -108.63 -52.32 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 17.8 mt-10 61.54 24.98 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.8 m95 -164.36 128.96 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 9.7 m-85 -145.67 141.1 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 37' ' ' VAL . 25.5 m170 -69.86 148.66 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.04 -34.01 77.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.83 -29.71 50.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 m -74.98 -35.19 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.9 m -94.85 -24.6 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.76 74.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 mt -141.55 118.09 10.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.5 p -75.15 -38.62 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.02 176.45 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 127.98 92.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.43 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -41.41 -49.65 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.3 -144.81 1.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -103.15 127.6 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.3 t90 -111.09 151.48 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.0 m-85 -142.97 121.23 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.557 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.1 p -47.01 156.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.7 -11.12 30.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.655 ' OE1' HG22 ' A' ' 10' ' ' ILE . 13.7 mt-30 -81.13 -30.96 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.01 -57.1 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.2 m -45.15 -37.12 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.1 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.82 30.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.0 mtm -62.42 -38.79 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -114.64 -72.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -42.04 163.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 pt -54.86 -22.53 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -86.12 12.11 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 m120 49.2 48.08 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.76 160.73 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.93 159.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 p -85.03 89.82 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -125.2 175.22 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.09 -173.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.2 116.86 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.605 ' HE1' ' HB3' ' A' ' 31' ' ' TRP . 27.4 mtp -119.01 137.48 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.3 p -100.27 109.64 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.94 119.81 12.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.63 130.26 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.457 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 23.1 t70 -54.78 -37.52 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -73.26 103.28 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.52 -18.48 59.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.73 -7.02 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.46 134.05 95.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.59 35.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -104.32 -52.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.595 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-10 58.74 25.03 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.605 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 97.9 m95 -164.96 127.91 2.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -145.58 143.85 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 37' ' ' VAL . 23.2 m170 -71.84 151.13 43.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.02 -34.28 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.56 -29.09 53.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.7 m -74.85 -36.6 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.9 m -93.12 -24.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 74.02 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -141.78 113.12 7.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -71.96 -36.37 69.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 174.19 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.18 123.33 77.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.575 0.702 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.25 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -48.58 -55.13 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.51 -158.06 3.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.86 133.26 35.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 70.6 t90 -116.25 136.44 53.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 90.0 m-85 -124.78 122.06 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.4 p -46.31 156.3 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.71 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -81.27 -30.52 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.48 -56.91 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.483 HG22 ' HE2' ' A' ' 57' ' ' LYS . 86.0 m -46.32 -31.44 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.46 -39.82 52.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -47.39 57.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.8 mtm -56.96 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HE2' HG22 ' A' ' 53' ' ' THR . 27.5 mtmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.07 -73.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.39 163.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.495 HG23 ' CE2' ' A' ' 32' ' ' PHE . 22.5 pt -53.96 -26.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -81.62 11.05 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 49.26 51.47 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.85 160.44 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.11 160.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -84.04 91.2 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -128.89 169.27 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.76 176.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 15.1 mp0 -59.11 107.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.539 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 23.5 mtp -107.94 144.53 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.5 p -107.81 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.55 132.82 35.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.09 121.39 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 14.7 m-20 -42.39 -27.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -91.26 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.5 -29.73 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.89 -18.6 60.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.5 t -53.74 134.01 55.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -17.68 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.472 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 14.7 mt -110.6 -46.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.9 tt0 45.53 27.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -164.19 111.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 10' ' ' ILE . 25.0 m-85 -134.42 146.16 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -70.29 151.55 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.1 -33.29 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.75 -27.01 55.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.55 -34.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.82 -26.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.33 75.07 1.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -143.18 140.67 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.4 p -102.65 -17.67 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.43 162.6 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.62 126.46 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -40.41 -51.65 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.34 -146.07 2.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.52 135.62 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -121.68 138.37 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 87.4 m-85 -133.93 123.0 23.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.416 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 10.2 p -46.6 155.74 0.56 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.74 -10.84 29.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.427 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.1 mt-30 -81.52 -30.33 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.9 m -87.67 -58.23 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -44.25 -33.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.19 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.4 -44.74 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtm -62.12 -36.14 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -113.32 -74.75 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -46.74 162.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 pt -53.15 -29.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -78.11 9.58 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 m120 53.33 49.54 19.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -126.55 157.18 39.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -55.84 163.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 m -85.72 95.85 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -127.28 172.05 10.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.2 -178.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.92 116.79 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.614 ' HE2' ' C ' ' A' ' 31' ' ' TRP . 26.4 mtp -119.84 141.7 49.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.3 p -105.75 105.48 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.43 125.87 29.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.6 t -55.04 125.79 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 9.4 m-20 -47.84 -30.56 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -84.39 102.8 13.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -55.44 -31.53 62.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -24.57 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.51 134.06 7.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -19.99 35.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 38.3 mt -107.53 -51.53 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.0 tt0 49.58 26.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.614 ' C ' ' HE2' ' A' ' 19' ' ' MET . 99.2 m95 -164.46 106.22 0.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.463 ' N ' ' HE2' ' A' ' 19' ' ' MET . 7.1 m-85 -128.76 145.9 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' HG22 ' A' ' 37' ' ' VAL . 23.8 m170 -71.6 150.64 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.85 -33.55 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.16 -25.23 59.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.0 m -78.07 -36.38 48.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 33' ' ' HIS . 17.0 m -94.54 -23.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.42 73.6 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -140.17 109.24 6.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -67.52 -38.35 84.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -140.77 -177.63 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.93 131.92 87.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 113.01 3.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -52.52 -49.73 64.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -154.67 24.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -84.66 140.9 31.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 90.6 t90 -123.97 139.44 53.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 75.5 m-85 -130.43 120.03 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 11.3 p -45.17 156.11 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.665 0.745 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.79 -10.73 29.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.462 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.6 mt-30 -81.59 -31.04 32.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.3 m -85.96 -56.56 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.7 m -44.44 -39.26 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.37 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.71 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.0 mtp -61.81 -36.41 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 mttp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.21 -71.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -43.91 163.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -54.33 -25.55 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.56 11.19 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 49.7 51.47 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.58 159.72 31.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.01 156.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -83.09 93.19 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -131.34 174.45 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.04 -169.94 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -70.61 107.91 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.424 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 19.3 mtp -111.29 141.87 44.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.5 p -107.14 106.84 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.19 128.35 41.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.52 125.7 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.8 t0 -49.18 -36.27 19.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -76.04 102.66 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -61.59 -18.55 59.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -75.91 -4.35 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 t -67.37 134.85 93.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.71 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.7 mt -105.3 -52.79 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 14.1 mt-10 59.08 25.02 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.27 127.53 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 27.5 m-85 -145.26 139.89 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.437 ' O ' HG22 ' A' ' 37' ' ' VAL . 25.4 m170 -69.32 152.51 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.52 -36.43 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.9 -27.45 60.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 m -75.93 -36.94 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 33' ' ' HIS . 14.6 m -94.42 -20.32 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 68.2 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.8 mt -129.43 86.79 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.1 p -50.37 -30.96 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -149.86 162.82 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.25 133.22 60.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -47.41 -53.63 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.35 -149.87 14.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -89.37 129.87 35.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -110.4 143.27 40.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.6 m-85 -128.58 119.12 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.6 p -44.86 156.28 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.7 -11.04 30.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.65 -29.38 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.7 m -88.75 -57.35 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.479 ' CG2' ' HE3' ' A' ' 57' ' ' LYS . 88.8 m -45.2 -29.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.48 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.05 -45.07 59.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.6 mtm -64.24 -40.36 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HE3' ' CG2' ' A' ' 53' ' ' THR . 46.2 mttt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.405 ' O ' HG23 ' A' ' 29' ' ' ILE . 26.1 m-85 -108.04 -68.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.12 163.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 pt -53.68 -24.19 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.8 p -84.77 11.74 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 48.27 50.08 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -123.52 161.5 24.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HD2' ' A' ' 16' ' ' TYR . 16.4 m -55.98 155.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -80.74 87.75 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.449 ' HD2' HG23 ' A' ' 14' ' ' VAL . 12.0 p90 -126.58 174.95 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.92 177.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 18' ' ' GLU . 30.0 mp0 -59.12 106.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.482 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 20.9 mtp -107.43 143.92 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.48 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.4 127.15 39.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.08 125.48 23.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.5 t70 -48.11 -37.68 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.05 102.33 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.61 -22.73 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -69.47 -8.1 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 t -64.36 134.64 96.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.83 34.39 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.498 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 17.6 mt -101.84 -53.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.588 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 13.2 mt-10 59.18 25.0 13.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.588 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.4 125.24 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.498 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 46.7 m-85 -145.64 138.06 25.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 37' ' ' VAL . 20.7 m170 -67.11 148.83 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -66.7 -33.2 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.97 -28.44 54.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.0 m -74.96 -35.73 62.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 33' ' ' HIS . 33.8 m -93.47 -25.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.66 72.66 1.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 47' ' ' TRP . 60.5 mt -141.3 124.22 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -81.41 -39.49 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.17 160.41 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.51 127.07 7.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 99.69 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -43.68 -48.72 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.14 -144.54 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -103.52 126.85 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.474 ' CD1' HD11 ' A' ' 39' ' ' LEU . 86.5 t90 -110.46 135.37 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 94.0 m-85 -128.65 117.17 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.451 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.9 p -43.13 156.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.73 -10.88 29.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 112.392 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.419 ' OE1' HD11 ' A' ' 29' ' ' ILE . 13.3 mt-30 -82.05 -29.26 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -88.81 -55.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -46.29 -36.36 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.89 88.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 -42.44 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.4 mtm -65.63 -40.04 92.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -118.84 -75.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -41.45 163.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.849 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.8 pt -54.99 -26.58 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.95 10.77 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 50.21 51.1 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -126.42 160.8 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.09 163.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -88.29 89.99 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -122.83 175.68 6.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.4 -176.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.8 114.81 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.409 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 25.8 mtp -116.3 149.4 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 p -117.13 108.32 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 121.18 15.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 t -46.55 137.2 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.579 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 7.6 t70 -59.1 -29.07 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -82.19 116.3 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.83 -11.68 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.79 2.12 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.16 135.38 91.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.94 33.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.471 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 12.2 mt -115.47 -55.17 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 27.6 mt-10 63.18 25.02 14.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.2 m95 -164.04 125.03 2.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 10' ' ' ILE . 23.8 m-85 -143.04 139.84 30.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -68.86 151.22 46.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -68.8 -35.69 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.26 -25.89 62.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 m -77.33 -38.76 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 m -94.88 -19.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.82 72.33 1.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -133.48 81.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -43.13 -29.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -155.77 179.96 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.93 134.4 92.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.9 Cg_endo -69.73 100.1 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -34.3 -61.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.29 -142.81 6.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 140.15 29.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 88.5 t90 -121.41 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -126.22 117.76 23.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.4 p -42.27 156.01 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.69 -10.66 29.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.849 ' OE1' HG22 ' A' ' 10' ' ' ILE . 16.8 mt-30 -82.95 -28.26 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.0 m -88.75 -57.03 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -46.74 -28.63 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -39.22 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.57 -48.27 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.5 mtm -56.88 -39.09 73.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 29' ' ' ILE . 25.1 m-85 -99.92 -68.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.948 0.404 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.37 162.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.531 HG23 ' CE2' ' A' ' 32' ' ' PHE . 8.5 pt -53.76 -28.01 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -80.65 11.21 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m120 47.43 54.18 9.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.16 154.51 45.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 m -56.15 155.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -79.73 116.79 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -137.67 177.72 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.87 -135.83 5.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 12.6 mt-10 -102.68 116.13 31.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.51 ' HE3' ' C ' ' A' ' 32' ' ' PHE . 21.1 mtp -111.15 144.43 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.2 p -108.34 109.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.0 135.44 22.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 t -65.99 126.27 28.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 13.0 t70 -48.52 -34.72 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.43 100.94 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -56.03 -24.25 38.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -22.96 64.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.94 133.93 14.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -19.51 36.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 8' ' ' TYR . 36.8 mt -109.58 -51.16 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.2 tt0 48.12 29.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -165.47 110.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 10' ' ' ILE . 19.4 m-85 -131.71 159.6 37.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.537 ' O ' HG22 ' A' ' 37' ' ' VAL . 32.9 m170 -84.58 151.93 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 3.0 m-85 -68.76 -32.33 72.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.03 -30.08 39.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.559 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -74.37 -33.32 63.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 33' ' ' HIS . 16.8 m -96.66 -26.7 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.77 74.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -140.31 111.19 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.6 p -70.18 -32.76 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.85 159.7 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.42 126.93 6.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.08 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -42.98 -57.16 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.08 -156.86 3.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 137.77 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.464 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.8 t90 -122.01 138.7 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 90.2 m-85 -131.3 120.26 22.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.2 p -43.29 155.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.0 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.402 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.8 mt-30 -82.1 -28.82 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.3 m -89.73 -55.31 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 m -46.6 -30.47 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -40.51 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.14 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -62.98 -39.9 96.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -103.84 -71.92 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.11 162.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -54.38 -22.96 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -85.91 11.92 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 48.53 51.26 15.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.43 159.82 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -55.97 155.46 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.5 p -81.13 92.67 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.42 174.72 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.99 -176.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.21 114.34 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.43 ' HE2' ' HB3' ' A' ' 31' ' ' TRP . 23.7 mtp -116.45 141.62 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 20' ' ' VAL . 8.4 p -108.66 106.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.0 121.56 21.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.7 119.91 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.9 t70 -42.43 -36.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -79.46 102.68 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -57.53 -28.61 63.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.94 -17.08 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 t -53.78 134.29 56.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.26 34.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 28.5 mt -113.68 -50.17 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.4 mt-10 56.64 25.02 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -163.99 124.35 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 3.3 m-85 -144.92 141.2 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -69.13 149.11 49.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.48 -32.77 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.1 53.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.7 -36.1 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 m -96.71 -26.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.23 74.86 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.3 mt -138.77 112.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.0 p -73.3 -37.03 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.46 158.8 44.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 127.77 3.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.02 4.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -55.96 -53.78 52.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.06 -145.34 2.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -99.03 128.02 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.479 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.9 t90 -108.77 141.76 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 89.8 m-85 -135.0 116.4 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 12.0 p -40.67 155.83 0.19 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.85 -8.4 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.2 mt-30 -85.52 -30.79 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 m -86.76 -62.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.02 -35.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.93 -42.82 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.9 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.1 mtm -59.66 -39.57 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.2 mttm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -106.1 112.85 26.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.368 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -127.32 163.75 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.19 -56.25 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 p -91.16 145.26 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -80.89 -9.77 59.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.19 97.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 29' ' ' ILE . 15.0 m-85 -120.46 -70.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.0 t -51.55 162.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.732 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.4 pt -54.2 -29.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.55 7.67 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m120 55.68 44.59 26.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -123.59 160.8 26.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' HD2' ' A' ' 16' ' ' TYR . 15.7 m -55.99 162.47 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.6 m -88.74 89.16 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HD2' HG23 ' A' ' 14' ' ' VAL . 29.9 p90 -122.25 177.56 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.39 179.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.28 113.63 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.484 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 28.0 mtp -117.14 149.13 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.6 p -113.07 110.73 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.36 121.67 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -53.08 132.78 38.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -53.66 -34.06 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -79.82 102.17 8.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.69 -28.73 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -63.99 -21.69 66.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -48.81 134.15 14.2 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -19.01 36.48 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 33.8 mt -108.34 -53.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.7 tt0 51.62 25.86 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.15 107.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 5.6 m-85 -128.75 143.95 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.411 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 28.0 m170 -69.36 154.78 41.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -72.64 -36.73 68.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.15 -26.27 64.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 m -76.66 -39.61 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.369 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 m -92.01 -24.11 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.06 69.16 1.25 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 47' ' ' TRP . 14.5 mt -131.48 79.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.1 p -42.14 -28.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.62 156.95 30.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.19 134.55 4.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 122.17 8.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -53.52 -51.58 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.2 -148.36 22.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.507 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -85.66 132.93 34.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.736 0.303 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 74.2 t90 -117.53 129.83 56.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 82.7 m-85 -121.61 123.89 43.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -45.5 155.42 0.46 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.77 -10.92 29.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.732 ' OE1' HG22 ' A' ' 10' ' ' ILE . 22.4 mt-30 -81.72 -29.5 32.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 57' ' ' LYS . 59.2 m -44.53 -32.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.07 -38.36 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.77 -44.46 32.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -36.35 81.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HE2' HG22 ' A' ' 53' ' ' THR . 41.6 mttm -60.64 -43.52 97.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -66.69 -41.9 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -63.6 -32.18 73.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.68 -103.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.1 p -65.82 142.88 57.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 65.3 41.44 4.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 10.6 p80 -73.48 81.0 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -131.97 95.01 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -122.37 84.2 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.85 27.58 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 139.17 39.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.0 m -92.64 103.44 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -148.2 136.88 21.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.481 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -125.03 134.14 52.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -67.48 175.59 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.63 -154.28 30.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -158.42 165.64 34.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m -87.56 167.64 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.39 109.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.532 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -98.71 -68.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.3 t -45.49 162.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG22 ' OE1' ' A' ' 51' ' ' GLN . 7.6 pt -53.08 -28.38 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -81.28 11.29 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 48.37 51.97 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -127.15 153.78 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 m -56.21 148.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -74.22 113.33 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -139.06 176.68 8.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 45.29 -162.18 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -71.74 112.38 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.598 ' SD ' ' CD2' ' A' ' 33' ' ' HIS . 45.3 mmm -114.8 149.04 37.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' VAL . 14.5 p -112.82 105.39 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.47 131.2 24.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.4 t -60.45 126.43 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.2 t70 -49.7 -36.18 24.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -78.78 100.3 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -53.24 -31.39 43.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -58.2 -24.05 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.32 134.07 17.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -21.03 33.92 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mt -108.68 -51.54 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.3 tt0 49.8 28.23 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.0 m95 -164.48 112.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.3 m-85 -135.77 145.96 47.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.598 ' CD2' ' SD ' ' A' ' 19' ' ' MET . 32.4 m80 -67.09 157.93 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.84 -32.73 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.91 -25.95 47.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.8 m -75.04 -34.07 61.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 33' ' ' HIS . 26.1 m -99.92 -22.55 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.6 74.45 1.28 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -134.88 80.83 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.3 p -41.34 -37.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -144.02 -179.92 6.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.52 136.59 90.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.99 4.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -62.69 -52.26 63.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.39 -132.35 1.65 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -106.09 131.96 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.314 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.4 t90 -115.82 144.6 43.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.1 m-85 -138.36 124.27 20.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.568 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.0 p -46.92 155.62 0.61 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' OE1' HG22 ' A' ' 10' ' ' ILE . 20.0 mt-30 -81.6 -30.42 32.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.9 m -87.91 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.696 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 38.8 m -44.09 -32.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.47 -39.05 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.85 -46.25 46.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 mtm -57.87 -37.31 73.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.696 ' NZ ' HG22 ' A' ' 53' ' ' THR . 17.0 mtmm -64.3 -46.62 82.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -54.56 -18.56 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -97.45 25.08 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -46.52 144.34 4.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.8 p -82.33 43.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -95.26 -52.03 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -75.1 129.11 37.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -60.3 115.22 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 t -110.64 -55.77 2.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.423 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . -170.49 -144.03 4.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.423 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 54.1 Cg_endo -69.71 -1.62 8.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.402 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.7 t -54.33 128.93 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.5 t -106.08 172.78 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.52 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -151.67 159.74 43.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -60.88 -44.64 96.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.43 68.76 1.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t -160.38 143.14 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -42.88 128.79 4.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.01 109.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 29' ' ' ILE . 23.5 m-85 -103.86 -67.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.946 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.9 t -48.51 162.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.504 HG22 ' OE1' ' A' ' 51' ' ' GLN . 6.6 pt -53.39 -27.67 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -79.85 9.66 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m120 50.13 50.69 18.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -125.67 160.11 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 m -55.98 158.11 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.8 m -84.73 95.77 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -129.13 176.84 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.45 -174.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.21 113.91 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.438 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 25.2 mtp -117.71 142.66 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 20' ' ' VAL . 10.9 p -108.22 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 128.47 28.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -57.95 125.26 22.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 t70 -47.71 -32.32 5.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -83.16 104.12 13.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -57.06 -30.18 64.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.76 -23.42 64.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.36 134.07 17.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.69 36.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' TYR . 24.8 mt -109.85 -51.25 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 7.9 tt0 48.38 27.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.8 m95 -164.3 108.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.438 ' N ' ' HE2' ' A' ' 19' ' ' MET . 4.4 m-85 -131.2 152.63 50.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.695 ' O ' HG22 ' A' ' 37' ' ' VAL . 28.3 m170 -77.92 152.71 33.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.828 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -69.89 -33.01 71.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.48 -30.07 46.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.9 m -75.21 -33.33 61.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.394 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 33' ' ' HIS . 33.3 m -95.25 -25.42 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.09 74.03 1.26 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.435 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -141.94 111.07 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -68.62 -34.92 76.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -141.46 177.43 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.84 130.27 92.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.52 0.676 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 101.6 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -46.21 62.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.83 -150.83 7.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -93.81 127.27 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.551 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.5 t90 -114.11 133.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 95.5 m-85 -124.2 120.15 31.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.0 p -43.94 155.85 0.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.73 -10.92 29.79 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.504 ' OE1' HG22 ' A' ' 10' ' ' ILE . 21.3 mt-30 -81.96 -29.5 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.1 m -88.01 -56.79 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.619 HG22 ' HE3' ' A' ' 57' ' ' LYS . 24.6 m -44.53 -33.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 -41.0 74.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.05 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.54 -45.19 47.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.75 -37.2 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.619 ' HE3' HG22 ' A' ' 53' ' ' THR . 4.1 mtmp? -63.5 -42.29 98.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -48.82 -47.4 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -59.71 -31.01 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.96 177.22 24.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -68.92 92.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -140.77 173.31 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -112.92 40.95 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -77.09 156.5 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.2 p -98.42 -178.48 4.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.06 141.4 15.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.77 -8.52 23.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' PRO . 6.2 t -36.35 105.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -103.17 136.23 43.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.168 -0.795 . . . . 0.0 112.453 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -88.18 147.25 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 p -125.95 169.9 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.31 -149.27 17.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 50.13 40.79 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 m -79.42 124.95 28.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.04 119.09 0.74 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -109.2 -67.54 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.958 0.408 . . . . 0.0 110.974 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -46.96 162.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.6 pt -53.27 -27.94 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.82 10.96 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 49.11 52.47 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -127.31 159.83 33.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.9 m -55.95 155.61 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.7 p -82.53 91.3 6.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -126.94 173.91 9.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.51 -174.11 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -61.37 116.17 4.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.421 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 24.9 mtp -120.83 144.21 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.6 p -113.28 105.55 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.56 124.85 30.1 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.6 t -50.42 133.78 24.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 6.0 m-20 -54.44 -25.71 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -92.32 103.97 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -54.4 -32.89 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -59.3 -22.34 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.16 133.98 15.99 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.68 34.45 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.246 . . . . 0.0 112.366 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.503 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 45.6 mt -105.7 -46.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.6 tt0 44.21 26.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.554 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -163.93 107.04 0.95 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' N ' ' HE2' ' A' ' 19' ' ' MET . 22.9 m-85 -128.82 148.47 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.421 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.0 m170 -73.71 154.62 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -71.32 -39.52 71.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.61 -25.59 71.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.4 m -77.52 -40.38 42.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 m -92.7 -20.07 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.46 70.48 1.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.3 mt -132.74 88.4 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.8 p -50.32 -35.42 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -146.15 -178.53 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.75 129.32 94.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.704 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 54.0 Cg_endo -69.71 92.32 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 7.6 mtpm? -37.67 -51.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.24 -161.43 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -77.82 138.32 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.6 t90 -123.81 143.06 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 86.9 m-85 -135.61 120.25 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.9 p -44.91 155.91 0.38 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.78 -10.8 29.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.639 2.226 . . . . 0.0 112.37 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.503 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.3 mt-30 -81.72 -30.32 32.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -87.26 -58.31 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.0 m -44.38 -34.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.44 66.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.57 -48.95 45.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.1 mtm -57.3 -39.14 75.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -66.95 -44.91 79.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -55.18 -26.59 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -96.04 24.41 5.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.84 -150.51 5.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -161.94 131.09 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -129.54 80.14 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -119.61 95.6 4.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.8 40.44 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.0 t -109.02 177.48 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.73 139.58 3.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 127.23 14.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.246 . . . . 0.0 112.383 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.4 p -89.37 90.95 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -84.63 -49.71 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -120.27 41.87 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -135.4 131.98 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.35 92.16 1.5 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.552 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 m -132.28 169.88 15.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.926 0.393 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -107.02 164.83 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.63 107.02 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -102.7 -67.99 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 110.915 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.62 162.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.8 pt -52.82 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.76 10.87 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 48.52 54.16 10.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -127.08 160.52 30.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.12 159.47 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 m -87.35 92.66 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -128.24 172.34 11.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.17 -164.28 6.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.15 113.48 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.516 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 22.4 mtp -116.92 143.85 45.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG13 ' O ' ' A' ' 20' ' ' VAL . 11.0 p -109.81 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.89 120.62 16.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -46.43 130.86 10.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.825 0.345 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -25.6 26.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' ND2' ' HB2' ' A' ' 26' ' ' ASP . 63.2 t30 -92.2 104.71 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -55.52 -32.54 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HB2' ' ND2' ' A' ' 24' ' ' ASN . 9.6 m-20 -57.76 -20.61 36.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 24' ' ' ASN . 4.1 t -53.15 134.3 50.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.39 32.1 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.2 mt -105.27 -49.23 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.4 tt0 48.23 28.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.1 m95 -164.95 105.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.7 147.25 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 26.4 m170 -72.58 156.37 39.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.52 -36.32 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.02 -27.24 60.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.8 m -76.02 -37.54 58.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 33' ' ' HIS . 15.5 m -93.79 -26.18 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.2 68.07 1.17 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.8 mt -130.08 81.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.1 p -43.46 -31.25 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -148.22 -179.04 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.2 127.82 91.95 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 108.79 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -57.6 -50.96 71.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.33 -155.78 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -83.45 134.4 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -121.66 132.36 54.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -128.73 118.77 23.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 8.7 p -43.88 156.06 0.31 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.1 Cg_endo -69.81 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -82.05 -29.17 32.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.3 m -87.3 -58.16 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.4 m -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -39.28 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.36 -44.47 44.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 51.9 mtm -60.77 -37.06 80.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -62.79 -44.69 95.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -46.48 -46.47 19.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -56.1 -32.2 63.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.78 -98.05 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.8 m -141.0 120.4 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -169.77 154.34 5.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -64.47 141.63 58.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -82.57 143.12 31.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -40.94 125.63 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.96 177.06 48.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 86.89 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.8 m -50.87 117.2 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 t -96.18 145.71 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.506 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -89.25 -175.71 4.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 54.62 52.38 12.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.57 121.52 4.92 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 43.9 t -44.19 -49.88 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 7' ' ' GLY . 3.3 m -124.3 -11.95 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 40.57 94.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -107.55 -71.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.874 0.369 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.5 t -46.31 163.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.783 HG22 ' OE1' ' A' ' 51' ' ' GLN . 7.0 pt -54.44 -25.77 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.6 p -81.49 10.44 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.54 49.14 20.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -125.92 155.33 41.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 5' ' ' SER . 12.3 m -55.89 159.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -83.61 97.79 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -133.67 171.56 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.5 -165.53 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -72.23 113.11 8.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.51 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 25.6 mtp -117.28 142.15 47.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.4 p -106.08 105.57 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.33 120.99 19.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.5 t -51.64 124.19 11.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.549 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 12.8 m-20 -44.23 -34.83 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -80.82 104.75 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -57.21 -30.26 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -61.98 -25.15 67.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 t -43.55 133.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.685 0.755 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -15.43 36.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.619 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 20.9 mt -112.4 -51.69 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.6 tt0 52.54 25.25 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.4 m95 -164.03 106.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.619 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 24.4 m-85 -129.19 144.0 51.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' O ' HG22 ' A' ' 37' ' ' VAL . 30.9 m170 -68.92 153.23 44.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -70.95 -34.31 71.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.59 -25.73 60.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 m -78.35 -35.34 47.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 33' ' ' HIS . 29.7 m -96.94 -24.96 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.24 74.85 1.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 mt -140.54 131.25 25.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 61.4 p -89.7 -34.59 16.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -149.97 -176.39 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 123.4 85.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -44.19 -52.8 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.2 -149.28 0.87 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -100.08 132.44 45.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.441 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -119.93 133.09 55.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 70.8 m-85 -127.15 118.61 24.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -41.63 156.06 0.22 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.76 -10.99 29.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.783 ' OE1' HG22 ' A' ' 10' ' ' ILE . 16.7 mt-30 -82.65 -28.35 30.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.4 m -88.57 -57.24 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.704 HG22 ' HE2' ' A' ' 57' ' ' LYS . 58.3 m -44.74 -30.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.01 61.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.51 -46.63 46.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 40.7 mtp -57.71 -37.51 73.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.704 ' HE2' HG22 ' A' ' 53' ' ' THR . 29.0 mtmt -64.94 -50.17 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -50.2 -46.61 54.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -56.02 -32.35 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.12 -85.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.5 m -103.31 98.33 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 tpt85 -111.3 156.71 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -121.71 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' SER . 5.0 tmtm? -47.64 -65.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LYS . 6.1 m -36.75 124.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.82 145.67 15.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 173.57 10.76 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.2 t -117.28 137.22 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 t -171.78 148.52 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.479 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -97.16 156.43 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.826 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -113.21 -48.2 2.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.14 39.07 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -76.67 144.8 39.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' H ' HG12 ' A' ' 14' ' ' VAL . 35.6 m -98.57 -9.2 25.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 44.12 95.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.52 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 29' ' ' ILE . 13.7 m-85 -114.55 -69.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.948 0.404 . . . . 0.0 110.939 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.65 163.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.603 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.6 pt -53.88 -26.74 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.15 10.67 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 52.07 52.67 13.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -128.23 156.64 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 6' ' ' SER . 15.7 m -55.9 165.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.6 p -85.67 96.76 9.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -133.93 162.83 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.98 -175.48 7.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.437 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 4.9 mp0 -65.16 107.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.513 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 20.9 mtp -112.33 140.63 46.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 20' ' ' VAL . 10.2 p -106.31 107.62 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 30' ' ' GLU . . . -66.71 130.45 31.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.54 120.39 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 28.7 t70 -42.37 -35.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -80.66 102.83 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -56.5 -30.79 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -60.09 -19.98 55.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 t -53.99 134.68 58.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.95 34.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.436 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 27.2 mt -106.04 -54.48 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.3 tt0 50.74 28.77 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 m95 -165.52 105.01 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 4.1 m-85 -129.18 145.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 22.7 m170 -70.79 151.0 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -67.04 -37.37 83.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.96 -25.14 67.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.5 m -76.91 -40.27 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.4 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -91.5 -25.39 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.91 69.0 1.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.7 mt -130.41 84.73 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 78.7 p -47.44 -27.85 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -154.1 -179.98 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.74 130.69 92.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.68 9.36 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.646 2.231 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -58.8 -56.48 21.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.33 -150.84 6.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -89.63 127.14 35.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.318 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.414 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.4 t90 -103.54 133.94 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 79.7 m-85 -125.9 117.26 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.4 p -41.8 156.04 0.23 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.74 -11.11 30.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.603 ' OE1' HG22 ' A' ' 10' ' ' ILE . 17.9 mt-30 -82.4 -27.87 31.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 39.8 m -90.24 -56.55 3.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.939 HG22 ' HE2' ' A' ' 57' ' ' LYS . 39.6 m -47.13 -30.13 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.73 -41.15 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.4 -48.65 48.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 34.9 mtm -56.68 -39.6 74.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.939 ' HE2' HG22 ' A' ' 53' ' ' THR . 37.4 mtmt -64.24 -48.43 75.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -43.38 -49.85 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -60.53 -32.24 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -44.33 101.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.9 m -162.18 160.53 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 81.2 mtm-85 -64.12 82.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 62' ' ' ARG . 40.9 m80 -162.77 133.23 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -82.49 104.37 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.4 m -125.44 86.4 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.77 -168.32 22.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.84 26.51 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 98.8 p -57.24 156.66 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 78.0 p -46.81 -53.73 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.473 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -95.13 141.54 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.6 p -103.67 -41.55 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.17 96.72 0.13 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -52.09 157.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 m -160.08 165.14 32.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.97 101.18 0.22 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -104.69 -69.96 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.981 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.1 t -44.98 162.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.483 HG23 ' CE2' ' A' ' 32' ' ' PHE . 10.1 pt -54.26 -23.46 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.41 11.99 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 m120 49.0 53.91 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -127.92 160.27 32.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.72 153.74 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -80.43 86.38 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -122.95 175.02 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.74 -179.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.34 110.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.507 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 20.1 mtp -114.11 142.39 46.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -104.94 108.58 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.01 119.09 12.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.1 t -53.28 132.34 38.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.2 t0 -56.51 -38.25 71.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -72.94 101.73 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -59.74 -16.83 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -76.71 -8.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.1 t -63.01 134.78 95.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.75 37.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.1 mt -109.13 -52.6 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.603 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.9 mt-10 60.82 24.98 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.603 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -164.89 129.79 2.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.507 ' N ' ' HE2' ' A' ' 19' ' ' MET . 29.5 m-85 -145.02 142.62 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 37' ' ' VAL . 23.5 m170 -71.54 146.9 48.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -65.12 -34.64 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -28.3 57.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 m -75.53 -38.5 59.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.8 m -92.24 -23.01 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.8 72.49 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -137.95 109.74 7.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.4 p -68.74 -38.58 80.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.04 166.65 24.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.85 129.9 78.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 109.99 2.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -49.63 -54.36 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.14 -151.38 5.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -93.13 131.29 38.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 82.6 t90 -115.78 131.47 56.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.5 m-85 -119.81 119.24 33.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.5 p -44.64 156.49 0.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.75 -11.27 30.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . 2.0 mt-30 -81.1 -30.21 34.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.8 m -88.69 -55.87 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -45.88 -33.91 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.47 76.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.02 -44.36 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.6 mtm -64.4 -33.47 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -69.21 -37.68 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -65.74 -64.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -57.77 -25.61 60.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 59' ' ' ARG . . . -45.84 104.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -156.6 135.86 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -54.53 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -106.69 128.09 53.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -123.31 87.34 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -146.66 172.51 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.38 155.65 8.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.97 8.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 m -81.54 46.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -70.23 156.14 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.471 -179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -78.04 167.77 20.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -131.68 140.25 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.89 -131.91 3.34 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 t -115.16 41.9 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -153.65 154.77 34.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.1 143.73 5.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -126.39 -70.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.962 0.411 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -43.57 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.884 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.9 pt -55.72 -19.54 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -88.67 11.38 17.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 50.89 51.96 15.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -126.49 158.0 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.38 155.17 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 82.8 p -81.44 92.62 6.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -128.37 176.26 7.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.45 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.496 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -73.87 112.28 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.618 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 24.5 mtp -115.69 141.79 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.76 106.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.14 129.17 43.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.23 116.78 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 24.1 t70 -40.46 -39.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -71.29 101.73 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.81 -19.93 53.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.65 -6.68 50.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.3 t -62.91 134.14 95.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -14.91 36.52 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.3 mt -113.21 -48.95 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 11.3 mt-10 57.9 25.02 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.16 128.23 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.452 ' N ' ' HE2' ' A' ' 19' ' ' MET . 21.8 m-85 -144.37 141.86 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.618 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 28.9 m170 -70.42 150.07 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.06 -32.29 72.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.71 -28.64 46.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.6 m -75.62 -34.11 60.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 33' ' ' HIS . 23.5 m -96.43 -22.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.59 75.52 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 mt -142.98 114.49 7.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.6 p -70.86 -33.95 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -149.34 -179.53 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.99 128.63 93.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.585 0.707 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 114.91 3.87 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -49.11 -60.16 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.27 -155.87 5.25 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -86.73 136.42 33.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.498 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 83.8 t90 -117.78 140.55 49.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 97.3 m-85 -132.4 124.09 28.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.498 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.6 p -47.87 155.85 0.78 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.4 Cg_endo -69.84 -10.84 29.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.884 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.5 mt-30 -81.37 -30.6 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 51.7 m -87.93 -58.16 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.599 HG22 ' NZ ' ' A' ' 57' ' ' LYS . 60.7 m -44.41 -31.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -38.93 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.16 -45.09 43.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.3 mtm -61.2 -37.99 84.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.599 ' NZ ' HG22 ' A' ' 53' ' ' THR . 11.4 mtmm -63.73 -47.9 79.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -47.63 -55.65 8.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 4.6 ptp180 -63.16 -32.52 73.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 59' ' ' ARG . . . -59.92 -106.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.0 t -173.34 117.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.2 mtt85 -76.4 -55.9 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 66.27 41.79 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -88.82 162.29 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -37.95 129.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.01 -119.7 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 91.97 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -47.04 -52.78 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.6 p -108.96 127.26 53.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.525 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.4 t -105.39 86.84 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 2.4 t -34.93 -60.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.94 134.31 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -133.48 163.91 28.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.1 m -84.32 124.43 31.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.63 113.84 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -104.63 -68.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.23 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.491 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.3 pt -54.67 -27.34 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -81.48 11.7 4.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 48.92 52.07 14.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -126.17 158.56 35.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.2 m -55.97 155.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -78.7 92.32 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -127.75 175.2 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.2 117.61 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 22.8 mtp -120.98 142.74 49.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 20' ' ' VAL . 3.1 p -112.57 107.23 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 30' ' ' GLU . . . -65.02 129.7 35.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.62 124.82 21.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 1.4 t70 -44.73 -37.92 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -78.46 101.26 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -55.6 -30.37 60.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -61.18 -23.15 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.4 t -49.88 134.34 21.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.682 0.754 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.38 36.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' HB ' ' CZ ' ' A' ' 32' ' ' PHE . 49.7 mt -106.23 -54.04 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 4.5 tt0 48.05 27.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.3 m95 -164.97 104.98 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 23.0 m-85 -128.28 152.14 48.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.417 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.5 m170 -77.03 153.24 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -69.35 -39.15 78.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.73 -23.55 74.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 m -77.93 -41.82 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.08 -21.93 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.69 71.37 1.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 47' ' ' TRP . 18.9 mt -133.52 84.42 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.3 p -47.83 -26.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.87 172.26 18.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.34 130.8 89.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.81 96.26 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -33.95 -58.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.72 -140.38 1.09 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -100.21 135.94 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.559 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 72.9 t90 -119.37 137.59 53.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 91.7 m-85 -128.53 126.09 39.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 11.1 p -47.82 155.85 0.77 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.8 Cg_endo -69.82 -10.81 29.43 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.491 ' OE1' HG22 ' A' ' 10' ' ' ILE . 17.9 mt-30 -81.3 -30.66 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.7 m -88.28 -56.41 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.0 m -46.43 -34.31 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.39 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.5 -47.33 41.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.1 mtm -58.07 -38.08 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -59.73 -51.13 71.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -62.98 -47.26 83.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 60' ' ' GLY . 33.0 mtp180 -61.54 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 59' ' ' ARG . . . -36.82 -55.39 1.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -63.65 82.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -169.35 177.25 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -127.57 144.36 51.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -123.22 89.58 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 72.2 m -117.26 101.85 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.46 122.38 3.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.27 22.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.372 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.7 m 62.35 41.53 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 m -129.59 139.35 51.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.494 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -118.41 109.96 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -128.95 131.25 47.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.15 -45.88 0.63 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -45.74 160.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.893 0.378 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 p -96.0 164.24 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.54 111.3 0.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.536 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -101.36 -70.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.41 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.2 t -42.56 164.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.839 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.3 pt -58.05 -19.02 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -88.94 12.68 14.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 49.59 50.3 18.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -124.98 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.404 HG23 ' HD1' ' A' ' 16' ' ' TYR . 16.0 m -55.99 155.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.2 p -83.04 92.07 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' HD1' HG23 ' A' ' 14' ' ' VAL . 36.7 p90 -129.9 175.71 8.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.35 -164.16 5.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.68 110.36 11.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.513 ' HE2' ' HB3' ' A' ' 31' ' ' TRP . 18.5 mtp -114.11 139.56 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.9 p -101.54 108.96 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.47 125.01 30.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.4 t -61.8 125.55 24.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 48.8 t0 -49.81 -40.08 40.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -72.69 101.33 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -58.7 -19.04 36.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.55 -8.7 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.7 t -62.76 134.23 95.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.48 37.51 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.685 2.256 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mt -108.24 -52.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.605 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 23.6 mt-10 61.51 25.03 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.605 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.1 m95 -165.16 130.75 2.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' N ' ' HE2' ' A' ' 19' ' ' MET . 38.7 m-85 -145.76 140.2 27.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' O ' HG22 ' A' ' 37' ' ' VAL . 22.2 m170 -69.07 145.7 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.94 -34.73 78.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.8 -27.12 59.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 m -75.8 -38.65 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 33' ' ' HIS . 28.0 m -91.24 -25.74 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.43 72.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -140.42 113.92 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.1 p -75.35 -17.08 60.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -162.04 -177.02 5.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.0 127.08 92.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.6 Cg_endo -69.86 98.06 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 3.7 mtpm? -36.25 -54.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.98 -154.68 6.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -91.45 133.39 35.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.555 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 87.3 t90 -115.72 139.95 49.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.467 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -131.2 122.37 26.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.555 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.2 p -46.05 155.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.7 Cg_endo -69.72 -11.24 30.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.839 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.2 mt-30 -81.35 -29.34 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.5 m -90.11 -56.9 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.505 HG22 ' HE2' ' A' ' 57' ' ' LYS . 28.1 m -47.57 -29.12 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.19 -43.28 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.84 -50.28 51.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.9 mtm -56.44 -38.23 71.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HE2' HG22 ' A' ' 53' ' ' THR . 19.6 mtmt -66.42 -46.98 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -53.37 -54.72 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.15 7.53 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.33 71.36 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -153.44 -177.2 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.6 98.55 11.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -160.85 130.95 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -46.29 128.92 10.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -96.66 130.52 43.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.17 163.96 21.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.17 3.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.3 t -130.0 81.51 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.5 p 39.42 42.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.447 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 p -115.98 166.1 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -48.54 165.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.24 -92.72 1.62 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 p -113.52 130.7 56.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -148.34 138.83 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.82 132.81 1.87 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.486 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -119.32 -68.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.91 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.9 t -46.4 162.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.655 HG22 ' OE1' ' A' ' 51' ' ' GLN . 8.5 pt -54.38 -23.67 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -84.46 10.92 9.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 49.74 52.24 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -126.42 159.97 31.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -55.97 155.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -82.09 91.68 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -127.89 175.03 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.64 -160.63 6.42 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.64 113.65 17.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.673 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 17.1 mtp -116.46 136.72 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 20' ' ' VAL . 13.8 p -99.93 108.9 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.54 121.51 22.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.6 t -57.47 121.64 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t0 -48.11 -35.53 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -77.17 100.98 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.52 -21.8 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.11 -7.46 41.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 t -65.57 134.48 95.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -17.53 37.76 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.7 mt -108.63 -52.32 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.585 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 17.8 mt-10 61.54 24.98 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.8 m95 -164.36 128.96 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 9.7 m-85 -145.67 141.1 27.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.673 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.5 m170 -69.86 148.66 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.04 -34.01 77.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.83 -29.71 50.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.5 m -74.98 -35.19 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.9 m -94.85 -24.6 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.76 74.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 mt -141.55 118.09 10.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.5 p -75.15 -38.62 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.02 176.45 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.35 127.98 92.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 94.43 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.374 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -41.41 -49.65 3.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.3 -144.81 1.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -103.15 127.6 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.775 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.557 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.3 t90 -111.09 151.48 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 97.0 m-85 -142.97 121.23 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.557 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 10.1 p -47.01 156.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.616 0.722 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.9 Cg_endo -69.7 -11.12 30.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.655 ' OE1' HG22 ' A' ' 10' ' ' ILE . 13.7 mt-30 -81.13 -30.96 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -87.01 -57.1 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.2 m -45.15 -37.12 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.1 78.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.87 -44.82 30.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.061 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 52.0 mtm -62.42 -38.79 91.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -62.13 -54.63 38.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -44.09 -59.12 2.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.86 -32.34 73.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.44 70.23 2.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' ARG . 22.8 m -87.63 170.16 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.847 0.356 . . . . 0.0 110.838 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' SER . 2.7 tpm_? -35.07 133.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -80.46 48.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -113.43 87.49 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.1 t -107.33 -53.21 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 153.53 -140.99 7.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 53.5 Cg_endo -69.8 -8.76 24.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.5 p -107.93 120.59 42.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 t -96.48 132.49 41.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.52 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -123.3 120.37 32.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.804 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -98.3 169.63 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.24 -46.38 1.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -51.8 118.36 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB3' HG12 ' A' ' 14' ' ' VAL . 4.8 t -115.16 170.27 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.14 113.47 0.53 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -114.64 -72.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -42.04 163.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.9 pt -54.86 -22.53 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.9 p -86.12 12.11 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.3 m120 49.2 48.08 21.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -122.76 160.73 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 6' ' ' SER . 15.7 m -55.93 159.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 p -85.03 89.82 7.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -125.2 175.22 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.09 -173.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -65.2 116.86 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.332 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.605 ' HE1' ' HB3' ' A' ' 31' ' ' TRP . 27.4 mtp -119.01 137.48 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.3 p -100.27 109.64 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.94 119.81 12.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.63 130.26 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.457 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 23.1 t70 -54.78 -37.52 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -73.26 103.28 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.52 -18.48 59.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.73 -7.02 53.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 t -64.46 134.05 95.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -19.59 35.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -104.32 -52.51 7.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.595 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-10 58.74 25.03 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.605 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 97.9 m95 -164.96 127.91 2.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -145.58 143.85 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 37' ' ' VAL . 23.2 m170 -71.84 151.13 43.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -68.02 -34.28 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.56 -29.09 53.81 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.7 m -74.85 -36.6 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 33' ' ' HIS . 32.9 m -93.12 -24.9 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 74.02 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -141.78 113.12 7.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -71.96 -36.37 69.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.98 174.19 11.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.18 123.33 77.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.575 0.702 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.25 2.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -48.58 -55.13 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.51 -158.06 3.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -90.86 133.26 35.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 70.6 t90 -116.25 136.44 53.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 90.0 m-85 -124.78 122.06 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.4 p -46.31 156.3 0.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.71 -10.91 29.76 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.385 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -81.27 -30.52 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.6 m -88.48 -56.91 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.483 HG22 ' HE2' ' A' ' 57' ' ' LYS . 86.0 m -46.32 -31.44 2.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.46 -39.82 52.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.21 -47.39 57.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.8 mtm -56.96 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HE2' HG22 ' A' ' 53' ' ' THR . 27.5 mtmt -64.11 -40.3 95.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -63.7 -36.11 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -87.93 24.95 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.46 -48.41 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.5 p -141.22 168.31 20.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.905 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 55.32 50.59 14.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -165.36 159.77 17.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.77 119.78 15.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 p -100.55 148.35 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.37 -179.1 17.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 179.1 3.89 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.37 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.1 t -101.09 82.01 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -64.29 -59.27 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.472 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -170.3 168.2 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.832 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -90.81 87.13 6.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.06 161.06 28.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 m -136.92 158.23 44.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.818 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -74.23 -178.09 3.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.08 98.47 0.13 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.07 -73.63 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.39 163.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.495 HG23 ' CE2' ' A' ' 32' ' ' PHE . 22.5 pt -53.96 -26.89 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -81.62 11.05 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 49.26 51.47 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -124.85 160.44 28.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.8 m -56.11 160.49 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.5 p -84.04 91.2 7.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -128.89 169.27 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.76 176.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 15.1 mp0 -59.11 107.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 23.5 mtp -107.94 144.53 35.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.5 p -107.81 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.55 132.82 35.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.09 121.39 12.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 14.7 m-20 -42.39 -27.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -91.26 110.23 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -61.5 -29.73 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -61.89 -18.6 60.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.5 t -53.74 134.01 55.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -17.68 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.357 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.472 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 14.7 mt -110.6 -46.66 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 6.9 tt0 45.53 27.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -164.19 111.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CE2' HG23 ' A' ' 10' ' ' ILE . 25.0 m-85 -134.42 146.16 49.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 26.0 m170 -70.29 151.55 45.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.1 -33.29 73.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.75 -27.01 55.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.2 m -75.55 -34.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 m -96.82 -26.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.33 75.07 1.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -143.18 140.67 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.4 p -102.65 -17.67 15.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.43 162.6 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.62 126.46 8.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -40.41 -51.65 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.34 -146.07 2.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -97.52 135.62 39.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -121.68 138.37 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 87.4 m-85 -133.93 123.0 23.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 10.2 p -46.6 155.74 0.56 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.74 -10.84 29.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.427 ' OE1' HG22 ' A' ' 10' ' ' ILE . 15.1 mt-30 -81.52 -30.33 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.9 m -87.67 -58.23 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 m -44.25 -33.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.19 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.4 -44.74 34.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 64.8 mtm -62.12 -36.14 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -64.71 -46.14 83.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -52.2 -35.34 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.3 mtt-85 -91.78 24.92 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.01 -96.48 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 p -79.32 -62.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.05 160.09 28.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -78.4 177.58 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' LYS . 2.8 pptp? -110.09 167.02 10.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.1 t -72.62 129.48 38.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.58 139.8 7.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 131.71 21.91 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -64.74 96.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.8 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -121.8 89.24 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.521 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -110.68 82.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -99.56 120.69 40.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.38 88.0 2.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -89.32 -54.84 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLY . 68.2 m -110.11 -10.53 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 6' ' ' SER . . . 42.41 95.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.444 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -113.32 -74.75 0.62 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.909 0.385 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.7 t -46.74 162.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 pt -53.15 -29.0 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.0 p -78.11 9.58 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 m120 53.33 49.54 19.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -126.55 157.18 39.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -55.84 163.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.7 m -85.72 95.85 9.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -127.28 172.05 10.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.2 -178.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.92 116.79 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.474 ' HE2' ' N ' ' A' ' 32' ' ' PHE . 26.4 mtp -119.84 141.7 49.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.3 p -105.75 105.48 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.43 125.87 29.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.6 t -55.04 125.79 21.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 9.4 m-20 -47.84 -30.56 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -84.39 102.8 13.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -55.44 -31.53 62.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -24.57 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.5 t -46.51 134.06 7.81 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.639 0.733 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -19.99 35.59 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 38.3 mt -107.53 -51.53 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.0 tt0 49.58 26.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 99.2 m95 -164.46 106.22 0.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' N ' ' HE2' ' A' ' 19' ' ' MET . 7.1 m-85 -128.76 145.9 51.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 23.8 m170 -71.6 150.64 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.85 -33.55 74.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.16 -25.23 59.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.0 m -78.07 -36.38 48.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 33' ' ' HIS . 17.0 m -94.54 -23.78 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.42 73.6 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.2 mt -140.17 109.24 6.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -67.52 -38.35 84.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -140.77 -177.63 5.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.93 131.92 87.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 113.01 3.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -52.52 -49.73 64.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -154.67 24.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -84.66 140.9 31.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.758 0.313 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.4 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 90.6 t90 -123.97 139.44 53.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 23' ' ' ASP . 75.5 m-85 -130.43 120.03 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB2' ' HD2' ' A' ' 50' ' ' PRO . 11.3 p -45.17 156.11 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.665 0.745 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.79 -10.73 29.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 0.0 112.364 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.462 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.6 mt-30 -81.59 -31.04 32.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 43.3 m -85.96 -56.56 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.7 m -44.44 -39.26 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.37 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.71 44.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.0 mtp -61.81 -36.41 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -62.91 -42.54 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -88.04 25.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.55 47.34 2.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.1 m -67.76 98.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 -30.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -70.19 -44.28 69.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -46.52 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -92.26 143.56 26.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.04 76.37 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -7.92 22.28 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.4 p -45.0 103.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.3 m -58.71 164.49 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.472 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -84.73 113.47 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -121.66 109.92 15.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.7 133.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -70.7 -47.76 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -129.46 142.83 50.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.1 118.19 0.61 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -106.21 -71.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.954 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.3 t -43.91 163.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -54.33 -25.55 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.56 11.19 6.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 49.7 51.47 16.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.58 159.72 31.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.01 156.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.5 p -83.09 93.19 7.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -131.34 174.45 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.04 -169.94 3.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -70.61 107.91 4.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.589 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 19.3 mtp -111.29 141.87 44.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 20' ' ' VAL . 7.5 p -107.14 106.84 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.19 128.35 41.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.52 125.7 25.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.8 t0 -49.18 -36.27 19.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -76.04 102.66 5.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -61.59 -18.55 59.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -75.91 -4.35 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.0 t -67.37 134.85 93.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.71 36.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.7 mt -105.3 -52.79 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 14.1 mt-10 59.08 25.02 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.2 m95 -164.27 127.53 2.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.429 ' N ' ' HE2' ' A' ' 19' ' ' MET . 27.5 m-85 -145.26 139.89 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.589 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.4 m170 -69.32 152.51 44.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.52 -36.43 78.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.9 -27.45 60.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 m -75.93 -36.94 59.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 33' ' ' HIS . 14.6 m -94.42 -20.32 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 68.2 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.8 mt -129.43 86.79 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.1 p -50.37 -30.96 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -149.86 162.82 39.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.25 133.22 60.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt -47.41 -53.63 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.35 -149.87 14.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -89.37 129.87 35.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 85.0 t90 -110.4 143.27 40.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 96.6 m-85 -128.58 119.12 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.6 p -44.86 156.28 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.7 -11.04 30.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -81.65 -29.38 33.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.7 m -88.75 -57.35 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.479 ' CG2' ' HE3' ' A' ' 57' ' ' LYS . 88.8 m -45.2 -29.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.48 59.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.05 -45.07 59.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.6 mtm -64.24 -40.36 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HE3' ' CG2' ' A' ' 53' ' ' THR . 46.2 mttt -63.51 -52.84 59.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 mtp85 -55.01 -43.9 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -63.87 -30.56 71.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -47.6 -90.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.529 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.0 t -127.09 129.58 48.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -78.98 -47.12 16.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -92.82 101.16 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpt -89.04 114.76 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 m -85.17 132.74 34.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.06 133.31 45.15 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 154.62 67.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.0 t -54.61 -58.15 8.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.3 p -50.69 135.06 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.493 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -83.26 -55.22 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -102.89 170.72 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 178.29 30.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -101.37 95.46 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -90.78 160.29 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.4 125.44 0.91 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.405 ' O ' HG23 ' A' ' 29' ' ' ILE . 26.1 m-85 -108.04 -68.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.962 0.411 . . . . 0.0 110.941 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.12 163.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.2 pt -53.68 -24.19 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.8 p -84.77 11.74 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 48.27 50.08 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -123.52 161.5 24.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HD2' ' A' ' 16' ' ' TYR . 16.4 m -55.98 155.44 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -80.74 87.75 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.449 ' HD2' HG23 ' A' ' 14' ' ' VAL . 12.0 p90 -126.58 174.95 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.92 177.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 18' ' ' GLU . 30.0 mp0 -59.12 106.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.509 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 20.9 mtp -107.43 143.92 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.48 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.4 127.15 39.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.08 125.48 23.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 34.5 t70 -48.11 -37.68 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -77.05 102.33 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.61 -22.73 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -69.47 -8.1 43.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 t -64.36 134.64 96.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -20.83 34.39 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.381 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.498 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 17.6 mt -101.84 -53.7 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 13.2 mt-10 59.18 25.0 13.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.588 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.9 m95 -164.4 125.24 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.498 ' CZ ' HD12 ' A' ' 29' ' ' ILE . 46.7 m-85 -145.64 138.06 25.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' HG22 ' A' ' 37' ' ' VAL . 20.7 m170 -67.11 148.83 51.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -66.7 -33.2 75.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.97 -28.44 54.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.0 m -74.96 -35.73 62.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 33' ' ' HIS . 33.8 m -93.47 -25.04 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.66 72.66 1.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 47' ' ' TRP . 60.5 mt -141.3 124.22 16.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -81.41 -39.49 24.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.17 160.41 40.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.51 127.07 7.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 99.69 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -43.68 -48.72 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.14 -144.54 1.49 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -103.52 126.85 50.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.474 ' CD1' HD11 ' A' ' 39' ' ' LEU . 86.5 t90 -110.46 135.37 51.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 94.0 m-85 -128.65 117.17 20.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.451 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 7.9 p -43.13 156.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.647 0.736 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.6 Cg_endo -69.73 -10.88 29.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.628 2.219 . . . . 0.0 112.392 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' OE1' HD11 ' A' ' 29' ' ' ILE . 13.3 mt-30 -82.05 -29.26 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.3 m -88.81 -55.48 3.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -46.29 -36.36 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.89 88.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.47 -42.44 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 38.4 mtm -65.63 -40.04 92.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -55.79 -44.79 78.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -47.38 -46.75 26.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -70.48 -32.32 69.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.53 127.74 2.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -130.36 99.68 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.03 110.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -161.27 123.35 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.74 129.03 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 t -162.11 135.07 6.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.96 124.51 6.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.52 10.87 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.4 t -49.38 130.61 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 t -50.34 141.26 12.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.539 179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.7 p -57.86 165.24 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 m -123.08 41.68 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.0 58.54 0.63 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -53.2 60.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -82.66 169.54 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.44 119.61 0.69 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -118.84 -75.19 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.392 . . . . 0.0 110.912 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -41.45 163.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.849 HG22 ' OE1' ' A' ' 51' ' ' GLN . 9.8 pt -54.99 -26.58 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.95 10.77 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 50.21 51.1 17.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -126.42 160.8 29.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.9 m -56.09 163.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -88.29 89.99 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 11.4 p90 -122.83 175.68 6.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 50.4 -176.38 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.8 114.81 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.551 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 25.8 mtp -116.3 149.4 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 p -117.13 108.32 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 121.18 15.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 t -46.55 137.2 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.323 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.579 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . 7.6 t70 -59.1 -29.07 67.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -82.19 116.3 21.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.83 -11.68 61.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.79 2.12 52.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.16 135.38 91.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.94 33.88 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.471 HD12 ' CZ ' ' A' ' 32' ' ' PHE . 12.2 mt -115.47 -55.17 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 27.6 mt-10 63.18 25.02 14.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.2 m95 -164.04 125.03 2.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 10' ' ' ILE . 23.8 m-85 -143.04 139.84 30.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.551 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 25.9 m170 -68.86 151.22 46.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -68.8 -35.69 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.26 -25.89 62.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.0 m -77.33 -38.76 49.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.9 m -94.88 -19.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.82 72.33 1.29 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -133.48 81.76 1.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.7 p -43.13 -29.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -155.77 179.96 8.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.93 134.4 92.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' LYS . 53.9 Cg_endo -69.73 100.1 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -34.3 -61.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.29 -142.81 6.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.444 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 140.15 29.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.45 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 88.5 t90 -121.41 134.25 55.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 23' ' ' ASP . 87.4 m-85 -126.22 117.76 23.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 8.4 p -42.27 156.01 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.3 Cg_endo -69.69 -10.66 29.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.849 ' OE1' HG22 ' A' ' 10' ' ' ILE . 16.8 mt-30 -82.95 -28.26 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.0 m -88.75 -57.03 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -46.74 -28.63 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -39.22 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.57 -48.27 41.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.5 mtm -56.88 -39.09 73.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -64.25 -50.42 68.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.5 mtp85 -48.7 -48.14 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -58.15 -32.42 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 95.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m 63.09 29.65 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.82 161.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -145.05 157.98 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -94.71 132.98 38.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 66' ' ' GLY . 1.8 t -133.41 152.66 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.05 142.23 0.1 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.485 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.1 19.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -111.17 144.8 39.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.8 t -75.81 113.89 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.456 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -65.64 142.7 57.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -116.71 132.19 56.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.06 101.95 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -92.46 147.5 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m -79.95 134.2 36.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.81 113.74 0.48 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 29' ' ' ILE . 25.1 m-85 -99.92 -68.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.948 0.404 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -44.37 162.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.531 HG23 ' CE2' ' A' ' 32' ' ' PHE . 8.5 pt -53.76 -28.01 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -80.65 11.21 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m120 47.43 54.18 9.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.16 154.51 45.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 m -56.15 155.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -79.73 116.79 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -137.67 177.72 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.87 -135.83 5.37 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 12.6 mt-10 -102.68 116.13 31.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.498 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 21.1 mtp -111.15 144.43 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 20' ' ' VAL . 9.2 p -108.34 109.37 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.0 135.44 22.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 t -65.99 126.27 28.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 13.0 t70 -48.52 -34.72 11.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -76.43 100.94 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -56.03 -24.25 38.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -22.96 64.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -48.94 133.93 14.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -19.51 36.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 8' ' ' TYR . 36.8 mt -109.58 -51.16 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 5.2 tt0 48.12 29.48 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 97.5 m95 -165.47 110.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.531 ' CE2' HG23 ' A' ' 10' ' ' ILE . 19.4 m-85 -131.71 159.6 37.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.537 ' O ' HG22 ' A' ' 37' ' ' VAL . 32.9 m170 -84.58 151.93 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 3.0 m-85 -68.76 -32.33 72.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.03 -30.08 39.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.559 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.9 m -74.37 -33.32 63.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 33' ' ' HIS . 16.8 m -96.66 -26.7 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.77 74.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -140.31 111.19 6.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.393 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.6 p -70.18 -32.76 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.85 159.7 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.42 126.93 6.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 101.08 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -42.98 -57.16 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.08 -156.86 3.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 137.77 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.464 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 89.8 t90 -122.01 138.7 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 90.2 m-85 -131.3 120.26 22.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 9.2 p -43.29 155.6 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 54.0 Cg_endo -69.77 -10.79 29.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.402 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.8 mt-30 -82.1 -28.82 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.3 m -89.73 -55.31 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 m -46.6 -30.47 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -40.51 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -43.14 56.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -62.98 -39.9 96.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -57.26 -50.97 71.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -57.04 -45.99 82.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -59.97 -32.32 70.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.64 38.17 2.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -119.72 158.79 25.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 10.1 ttm105 -55.55 157.21 4.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -125.36 127.35 46.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 72.72 40.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.6 p -64.68 89.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.75 -149.46 6.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.284 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.1 p -118.79 93.13 3.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -86.15 -49.66 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.475 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -120.73 92.56 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -110.48 154.68 23.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.7 114.16 2.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -65.41 161.4 19.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -99.42 173.75 6.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.49 105.73 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.545 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -103.84 -71.92 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.923 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.2 t -43.11 162.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -54.38 -22.96 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -85.91 11.92 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 48.53 51.26 15.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -125.43 159.82 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -55.97 155.46 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.5 p -81.13 92.67 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -128.42 174.72 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.99 -176.29 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.21 114.34 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.462 ' HE3' ' CD2' ' A' ' 33' ' ' HIS . 23.7 mtp -116.45 141.62 47.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 20' ' ' VAL . 8.4 p -108.66 106.4 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.0 121.56 21.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.7 119.91 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 1.9 t70 -42.43 -36.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -79.46 102.68 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -57.53 -28.61 63.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.94 -17.08 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 t -53.78 134.29 56.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.746 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -13.26 34.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CD1' ' NE2' ' A' ' 51' ' ' GLN . 28.5 mt -113.68 -50.17 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 8.4 mt-10 56.64 25.02 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 98.6 m95 -163.99 124.35 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 31' ' ' TRP . 3.3 m-85 -144.92 141.2 28.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.462 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 20.8 m170 -69.13 149.11 49.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.48 -32.77 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.1 53.95 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.8 m -75.7 -36.1 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 m -96.71 -26.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.23 74.86 1.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.3 mt -138.77 112.44 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.0 p -73.3 -37.03 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.46 158.8 44.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 127.77 3.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 111.054 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.02 4.83 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -55.96 -53.78 52.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.06 -145.34 2.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.8 mmtt -99.03 128.02 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.479 ' CH2' ' HA ' ' A' ' 49' ' ' CYS . 91.9 t90 -108.77 141.76 40.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 23' ' ' ASP . 89.8 m-85 -135.0 116.4 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HA ' ' CH2' ' A' ' 47' ' ' TRP . 12.0 p -40.67 155.83 0.19 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 49' ' ' CYS . 53.2 Cg_endo -69.85 -8.4 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' A' ' 29' ' ' ILE . 3.2 mt-30 -85.52 -30.79 23.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 m -86.76 -62.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.02 -35.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.93 -42.82 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.34 -49.9 57.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.1 mtm -59.66 -39.57 84.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 60' ' ' GLY . 27.2 mttm -63.45 -43.99 95.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -42.48 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' LYS . 75.1 mtm180 -88.38 24.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' LYS . . . 157.34 48.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -124.49 81.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -173.57 145.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' LYS . 41.4 m80 -86.35 81.68 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 63' ' ' HIS . 20.5 ttpt -34.9 139.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -158.37 173.8 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.74 -84.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.34 27.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.9 m -124.52 110.33 14.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.0 m -40.62 137.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.519 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_