data_1x4l_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 1x4l _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 ' 24' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.3 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -122.23 123.6 41.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 52' ' ' THR . 74.4 t80 -111.51 169.68 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 44.9 mt-10 -33.46 -50.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -131.85 -44.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 27.0 mtt180 -77.26 170.23 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 24.8 mt-30 -154.86 169.84 23.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.6 m-90 -162.52 -176.55 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -105.72 165.7 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' HG21 ' A' ' 46' ' ' VAL . 1.5 t-20 -59.12 -16.94 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.1 t70 -111.07 -52.28 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.1 m -52.16 -38.95 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.0 t80 -57.14 89.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 31.7 m-20 -142.91 150.32 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.469 ' N ' HD11 ' A' ' 45' ' ' LEU . 17.4 t -43.37 166.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -105.21 -4.21 21.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -113.37 -45.3 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.81 4.32 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m 41.72 43.8 2.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 tp -87.33 156.51 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 t -62.33 116.11 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 38' ' ' CYS . 50.5 mt -103.05 -19.22 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 HG21 ' ND2' ' A' ' 33' ' ' ASN . 2.2 p -55.48 113.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.1 27.41 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -135.13 -176.76 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.85 49.83 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CE2' ' HZ ' ' A' ' 36' ' ' PHE . 44.0 p90 -48.05 165.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 mp -113.08 -174.92 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.57 HG22 ' CZ ' ' A' ' 26' ' ' PHE . 42.3 p -134.45 100.59 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 tp10 -78.18 169.67 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 20.9 mtp180 -35.95 -70.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.17 26.88 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.0 m-20 -157.29 170.23 22.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.425 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -109.94 162.86 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 17.7 mt -154.07 173.96 15.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.0 p -105.95 158.31 32.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -48.0 -40.23 33.19 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.365 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -53.93 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.7 m -70.08 -58.06 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 36' ' ' PHE . 26.4 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 p -119.84 116.96 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 27' ' ' GLU . 34.7 t80 -111.12 175.32 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 26' ' ' PHE . 30.8 mm-40 -30.57 -64.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -123.4 -37.01 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.573 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 69.4 mtm-85 -83.63 168.57 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -156.36 166.79 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 30.7 m-90 -156.0 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -108.49 162.94 13.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -55.54 -25.07 35.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.5 m-20 -104.05 -50.06 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.6 m -54.33 -45.94 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -51.53 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 72.1 m-20 -146.07 149.99 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 t -44.94 167.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -105.21 -18.43 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -96.06 -60.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -94.77 -15.29 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 t 59.57 54.91 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.7 tp -103.83 151.26 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.421 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t -55.82 117.4 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.96 -30.73 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 p -43.28 109.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.41 31.69 9.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -142.35 177.97 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.99 59.36 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 36' ' ' PHE . 46.2 p90 -61.9 150.76 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.09 -175.0 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.6 p -132.86 99.8 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' ASP . 9.9 tp10 -78.16 169.69 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 53' ' ' GLU . 42.6 mtp180 -33.43 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.58 29.54 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' GLU . 15.7 m-20 -158.25 168.5 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.424 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 19.1 pt -111.56 156.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.42 169.54 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 p -99.8 158.6 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.98 -40.0 32.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.09 -41.0 91.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.8 m -83.76 -58.62 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.485 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.2 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.9 p -121.48 122.47 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 27' ' ' GLU . 33.8 t80 -111.61 171.66 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 5.5 mm-40 -33.17 -50.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -132.86 -41.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.558 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 34.7 mtm180 -78.93 168.84 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 63.2 mt-30 -153.65 170.37 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 31.4 m-90 -161.51 -175.03 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -111.21 154.25 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -49.16 -19.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 33.4 t0 -109.37 -52.92 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.8 m -51.54 -40.41 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.485 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -55.34 100.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 75.7 m-20 -152.47 148.32 27.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.4 t -42.91 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -107.25 -3.13 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -113.65 -42.13 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.45 -0.68 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 47.74 41.67 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -88.62 150.55 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -54.92 120.52 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.9 mt -105.93 -26.52 11.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.9 111.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.89 16.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 9.5 mtp-105 -140.52 175.64 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.17 60.99 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -64.22 152.38 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.35 -175.68 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.0 p -132.87 99.29 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 tt0 -76.53 165.13 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.3 mtt-85 -32.32 -72.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -123.01 28.22 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 11.3 m-20 -158.04 170.1 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.8 pt -111.59 159.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -150.27 168.7 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.0 p -104.09 157.11 34.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.95 -39.55 32.49 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -88.75 -58.36 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 36' ' ' PHE . 1.8 mp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.6 p -114.69 121.15 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 52' ' ' THR . 27.6 t80 -111.65 173.73 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 67.3 mt-10 -33.19 -53.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -131.49 -44.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -75.4 166.29 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 49.9 mt-30 -150.24 169.27 21.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.2 m-90 -161.8 -175.98 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.541 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 25.3 m170 -112.28 152.6 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -44.59 -25.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -103.88 -56.77 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.2 m -47.31 -41.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.9 t80 -55.82 97.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -147.17 151.33 36.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.77 166.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -105.38 -3.93 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -115.09 -42.06 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.2 p -119.08 0.99 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m 43.66 48.77 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 44' ' ' SER . 8.2 tp -91.4 149.3 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 43.3 t -56.12 106.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.8 mt -93.83 -30.76 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 p -41.02 118.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.47 28.87 42.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.3 173.81 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.71 55.32 4.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -57.48 151.42 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mp -97.02 -174.82 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.559 HG23 ' CE2' ' A' ' 26' ' ' PHE . 33.1 p -134.02 99.12 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 56' ' ' ASP . 10.2 tt0 -78.05 168.27 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 55.6 mtm180 -34.17 -70.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.49 28.08 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' GLU . 44.2 m-20 -158.11 169.34 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.435 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -111.57 159.75 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 8.9 mt -150.81 165.29 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.5 p -98.98 156.66 35.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.91 -31.74 16.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.45 -35.83 79.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 96.6 m -89.91 -48.56 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.452 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 36' ' ' PHE . 3.1 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -109.36 119.97 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.9 t80 -112.09 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 4.4 mm-40 -33.26 -53.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.59 -44.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 55.1 mtt180 -78.34 163.95 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 80.8 mt-30 -146.15 172.16 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 32.1 m-90 -162.62 -175.06 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.556 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 16.1 m170 -113.37 152.44 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -44.09 -29.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.0 t0 -98.4 -56.33 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -48.04 -47.03 33.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CD2' HG12 ' A' ' 24' ' ' ILE . 5.2 t80 -51.93 91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 38.6 m-20 -145.59 148.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.52 166.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -107.18 -12.6 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -99.29 -54.2 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 p -102.88 -15.86 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 62.35 54.85 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.2 152.85 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.3 t -56.56 119.91 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -104.89 -28.12 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -44.59 113.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.9 29.91 22.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -138.4 178.23 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.03 47.44 2.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.422 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.402 ' CE2' ' HZ ' ' A' ' 36' ' ' PHE . 47.8 p90 -48.36 153.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mp -99.8 -178.91 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.476 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 p -130.86 100.3 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.1 tp10 -77.82 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -34.85 -68.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -126.49 25.55 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 72.4 m-20 -154.66 172.15 18.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.1 pt -114.93 158.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 7.6 mt -148.23 172.56 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.0 p -106.51 156.27 37.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.0 -39.73 32.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -35.69 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.7 m -90.05 -57.98 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CD1' HG23 ' A' ' 46' ' ' VAL . 37.3 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.831 0.348 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -132.23 135.31 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.8 t80 -126.23 175.45 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' PHE . 43.0 mt-10 -30.83 -56.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -130.77 -40.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 82.2 mtt180 -79.72 171.43 15.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 69.5 mt-30 -154.56 173.39 16.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.513 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 31.7 m-90 -161.44 -174.98 4.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -115.82 144.12 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -40.49 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' HIS . 30.7 t0 -100.11 -53.28 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.4 m -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -45.92 97.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 78.8 m-20 -151.1 147.24 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.1 t -43.41 166.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -109.99 -10.08 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -101.3 -52.87 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 p -103.67 -17.22 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t 65.04 51.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -103.38 152.84 21.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -58.31 119.85 7.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -103.24 -32.25 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 ' CD1' ' A' ' 24' ' ' ILE . 5.5 p -40.89 109.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.47 30.37 10.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -140.06 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.06 50.85 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -52.47 153.16 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mp -102.76 -179.53 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.55 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 34.7 p -128.86 99.73 5.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ASP . 23.1 tt0 -75.92 166.09 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 25.5 mtm180 -34.01 -68.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.26 26.34 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' GLU . 8.1 m-20 -155.39 176.67 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.62 157.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 mt -147.86 168.4 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 20.2 p -100.92 156.87 34.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -47.92 -35.64 25.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.16 -35.54 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.2 m -87.18 -54.49 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' A' ' 36' ' ' PHE . 1.4 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 p -115.66 120.44 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' CE2' HG22 ' A' ' 52' ' ' THR . 22.3 t80 -109.84 172.45 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PHE . 51.9 mt-10 -35.08 -55.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.8 -43.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 19.8 mtt180 -79.13 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.552 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 56.2 mt-30 -153.97 172.13 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.9 m-90 -162.94 -175.69 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.542 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 16.4 m170 -113.59 156.35 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -44.93 -34.12 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 25.2 m-20 -96.08 -58.39 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -43.97 -44.2 7.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.0 t80 -56.03 102.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 76.7 m-20 -153.53 147.33 25.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.436 ' HB3' ' N ' ' A' ' 42' ' ' SER . 12.4 t -44.23 169.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -106.78 -15.02 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -102.07 -49.04 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.77 -4.37 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 2.1 m 48.25 44.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.92 150.65 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -53.36 111.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 mt -97.63 -31.21 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 p -44.61 117.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 29.8 33.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -138.54 177.28 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.35 55.52 3.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -58.57 156.81 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mp -103.28 -174.88 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.56 HG22 ' CE2' ' A' ' 26' ' ' PHE . 28.7 p -132.96 99.8 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 10.0 tt0 -78.73 164.53 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -32.72 -69.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.62 26.49 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.4 m-20 -156.42 169.54 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.424 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 pt -113.94 159.47 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 7.5 mt -150.07 168.63 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.8 p -102.07 157.1 34.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.03 -34.84 24.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.75 -36.62 84.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -88.98 -53.7 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 36' ' ' PHE . 5.6 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 t -133.57 134.64 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' HG22 ' A' ' 52' ' ' THR . 20.6 t80 -121.8 175.93 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.3 mm-40 -33.86 -48.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.88 -44.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -78.54 164.44 24.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -153.77 165.57 35.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -154.8 176.91 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -98.57 162.04 13.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' ND2' HG23 ' A' ' 46' ' ' VAL . 1.6 t-20 -56.2 -23.12 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.6 t70 -104.84 -50.77 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -53.69 -44.25 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CB ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.88 103.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 83.0 m-20 -154.67 149.06 26.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -44.12 168.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -13.81 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -100.49 -41.3 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 p -116.75 -12.07 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m 56.85 46.42 19.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.5 tp -94.46 155.45 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -56.19 113.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.9 mt -101.94 -18.65 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.457 HG23 ' ND2' ' A' ' 33' ' ' ASN . 2.0 p -57.64 108.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 21.64 26.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -130.19 -179.64 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.53 55.64 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -54.28 150.02 9.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -100.6 -175.98 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.561 HG22 ' CE2' ' A' ' 26' ' ' PHE . 20.9 p -129.77 100.21 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.498 ' OE1' ' CD1' ' A' ' 58' ' ' LEU . 16.2 tt0 -78.27 164.83 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -33.74 -70.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.07 25.91 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 24.4 m-20 -156.73 175.03 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -115.8 160.81 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' CD1' ' OE1' ' A' ' 53' ' ' GLU . 9.8 mt -150.2 169.89 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.5 p -104.6 157.07 34.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.95 -40.17 32.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -59.71 -36.05 75.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -89.18 -57.54 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 46' ' ' VAL . 43.4 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 p -119.43 127.4 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CE2' HG23 ' A' ' 52' ' ' THR . 14.6 t80 -117.69 177.18 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 58.8 mm-40 -32.94 -55.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.83 -43.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -75.69 161.81 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -145.56 151.23 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -142.76 172.86 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -97.78 136.35 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m-20 -33.71 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' HIS . 19.5 t0 -90.3 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -49.69 -51.71 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.83 100.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -154.6 151.01 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' N ' HD13 ' A' ' 45' ' ' LEU . 16.1 t -45.46 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -106.2 -17.45 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -95.79 -56.96 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.31 -15.08 18.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t 58.85 54.93 4.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 44' ' ' SER . 31.9 tp -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.459 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 41.2 t -59.46 113.97 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 38' ' ' CYS . 67.5 mt -101.0 -30.25 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 24' ' ' ILE . 4.0 p -48.28 110.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.28 27.69 17.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -137.54 -176.61 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.5 57.78 2.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -61.35 145.93 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.84 -177.03 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.469 HG23 ' CE2' ' A' ' 26' ' ' PHE . 18.4 p -128.06 104.75 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' ASP . 7.8 tt0 -82.57 167.0 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.0 mtt180 -34.15 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -122.35 28.39 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 m-20 -160.08 171.77 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.2 pt -112.06 159.29 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.458 HD11 ' CG ' ' A' ' 53' ' ' GLU . 9.2 mt -148.56 170.96 16.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.5 p -104.13 156.38 35.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.97 -38.6 31.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -37.02 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -87.79 -57.13 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.605 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.1 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 t -132.59 131.96 42.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CE2' HG23 ' A' ' 52' ' ' THR . 24.1 t80 -120.5 174.45 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 26' ' ' PHE . 19.1 mm-40 -32.25 -49.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -135.04 -42.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -78.09 165.68 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.528 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 63.9 mt-30 -148.62 173.09 13.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.0 m-90 -162.46 -175.12 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.529 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 18.4 m170 -117.28 165.85 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -55.41 -28.51 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.9 t70 -99.57 -50.59 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -54.89 -46.62 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CD2' HG12 ' A' ' 24' ' ' ILE . 4.4 t80 -54.31 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 12.3 m-20 -145.92 147.91 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.8 t -45.34 166.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -3.47 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -114.03 -41.66 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.84 -0.47 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 m 45.98 45.39 12.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -90.47 148.84 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -54.61 111.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.7 mt -97.98 -26.55 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -45.74 117.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.0 32.41 32.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -138.2 177.3 7.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.16 51.95 3.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CD1' ' CE2' ' A' ' 36' ' ' PHE . 52.4 p90 -55.27 158.06 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -105.54 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.479 HG23 ' CE2' ' A' ' 26' ' ' PHE . 19.3 p -129.02 103.8 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.6 tt0 -81.63 163.23 22.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 53' ' ' GLU . 18.7 mmt85 -33.04 -68.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -125.21 25.14 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLU . 63.4 m-20 -155.71 173.56 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.8 pt -116.43 155.86 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -145.92 170.03 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.9 p -102.93 157.21 34.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.74 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -48.03 -36.21 27.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -63.44 -39.88 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -84.78 -54.21 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.523 HG13 ' CG ' ' A' ' 36' ' ' PHE . 26.1 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -118.16 128.21 54.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 27' ' ' GLU . 16.0 t80 -119.06 175.68 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 61.8 mt-10 -32.51 -54.4 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -132.88 -43.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -74.76 162.4 28.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 67.5 mt-30 -144.88 168.46 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 27.0 m-90 -161.54 179.76 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -105.99 153.86 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -48.56 -23.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -104.03 -53.54 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 81.5 m -51.07 -43.2 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.523 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.3 t80 -51.64 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 66.0 m-20 -146.29 150.77 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.0 t -43.52 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -105.32 -16.57 14.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -96.8 -59.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -95.65 -16.31 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.5 t 61.05 54.57 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 tp -103.06 153.26 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -56.89 115.31 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.51 -27.44 13.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -43.08 113.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 32.22 30.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -136.47 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.27 52.75 3.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.402 ' CE2' ' HZ ' ' A' ' 36' ' ' PHE . 46.6 p90 -57.18 148.38 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mp -98.0 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.458 HG22 ' CE2' ' A' ' 26' ' ' PHE . 19.9 p -128.21 101.25 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 4.0 tt0 -79.66 165.63 22.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -31.45 -72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -124.25 27.29 7.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 38.3 m-20 -156.76 165.96 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.424 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -109.18 160.07 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD12 ' CG ' ' A' ' 53' ' ' GLU . 10.5 mt -151.31 171.76 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.0 p -104.03 156.21 36.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.95 -34.07 21.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.5 -40.95 93.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.09 -52.48 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.522 HG13 ' CG ' ' A' ' 36' ' ' PHE . 14.7 mm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.3 p -119.69 124.91 47.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CE2' HG22 ' A' ' 52' ' ' THR . 17.8 t80 -117.43 178.24 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 20.6 mt-10 -33.76 -56.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.39 -43.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 65.4 mtt180 -76.17 166.26 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-30 -149.43 170.35 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.1 m-90 -160.75 -174.98 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -115.45 160.3 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -50.19 -24.22 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -105.24 -54.02 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.82 -40.27 60.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.7 t80 -59.61 89.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 152.46 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 t -46.4 167.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -105.51 -16.88 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -97.64 -58.09 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.79 -14.37 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 p 58.08 54.05 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.19 148.95 25.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -53.62 119.12 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.9 mt -101.42 -30.56 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -39.48 118.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.67 29.62 42.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -136.45 -179.93 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.88 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -57.15 157.49 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.03 -177.63 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.568 HG22 ' CE2' ' A' ' 26' ' ' PHE . 22.1 p -131.08 98.3 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 54' ' ' ARG . 3.3 tp10 -82.04 165.9 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 53' ' ' GLU . 46.2 mtt180 -31.73 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -123.67 27.94 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 63.3 m-20 -157.38 169.03 25.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.41 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 16.8 pt -114.52 162.72 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.413 HD12 ' CD ' ' A' ' 53' ' ' GLU . 9.8 mt -149.96 169.1 21.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.0 p -99.45 157.79 33.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.02 -30.14 13.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -53.97 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.9 m -69.21 -44.18 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.497 HG13 ' CG ' ' A' ' 36' ' ' PHE . 17.8 mm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.831 0.348 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -119.82 123.63 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 52' ' ' THR . 47.7 t80 -114.63 173.14 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 46.5 mm-40 -32.8 -54.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.48 -44.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -75.76 166.53 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 36.2 mt-30 -150.16 169.69 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.503 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.7 m-90 -161.3 -176.33 5.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -110.38 154.12 23.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.87 -24.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -103.96 -52.73 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -51.87 -44.64 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.31 96.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.0 m-20 -147.39 153.9 40.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.0 t -49.24 169.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -108.98 -10.55 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -105.26 -41.98 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.09 0.05 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 m 47.56 37.89 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 tp -80.79 155.14 26.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 t -61.88 113.45 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.8 mt -98.73 -32.07 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.8 118.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 31.99 42.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -138.57 172.21 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.43 50.56 4.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -53.28 157.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.13 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 17.0 p -126.11 101.75 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 17.4 tt0 -78.64 162.13 26.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' GLU . 51.1 mtm-85 -32.29 -70.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -122.86 27.76 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 35.1 m-20 -159.45 178.51 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.2 pt -119.18 156.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.493 ' CD1' ' OE1' ' A' ' 53' ' ' GLU . 6.5 mt -146.99 165.37 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.3 p -97.73 155.46 37.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -48.05 -31.77 16.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.83 -38.79 80.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.3 m -85.05 -43.99 13.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.807 0.336 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 p -120.64 127.26 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.525 ' CE2' HG22 ' A' ' 52' ' ' THR . 14.1 t80 -115.43 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.5 mm-40 -34.39 -57.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -128.08 -41.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 8.1 mtp85 -72.93 177.27 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' CG ' ' C ' ' A' ' 29' ' ' ARG . 10.7 mt-30 -159.36 163.03 35.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.444 ' CZ2' ' HD3' ' A' ' 29' ' ' ARG . 31.1 m-90 -157.99 -175.83 5.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -110.96 145.04 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -40.68 -32.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 4.6 t70 -93.85 -54.64 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 83.1 m -49.99 -52.28 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -42.26 104.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.9 m-20 -156.72 153.08 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.0 t -47.42 164.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.95 -7.59 18.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -106.76 -51.14 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.04 -8.39 16.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.1 p 52.8 54.92 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD21 ' NH1' ' A' ' 48' ' ' ARG . 38.2 tp -103.41 150.86 23.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -52.71 109.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -97.19 -20.43 17.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -55.26 114.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.96 23.46 41.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH1' HD21 ' A' ' 43' ' ' LEU . 33.1 mtp180 -130.98 -178.92 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.83 52.86 2.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.29 147.59 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mp -100.48 -175.11 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 ' CE2' ' A' ' 26' ' ' PHE . 35.3 p -133.32 100.38 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.8 tt0 -76.67 166.39 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 91.4 mtt180 -31.55 -70.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.68 27.49 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' GLU . 71.1 m-20 -156.03 163.34 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.431 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -106.16 159.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 16.1 mt -154.06 172.05 18.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.7 p -102.94 158.75 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -41.32 33.0 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -52.79 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.5 m -73.1 -58.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -130.17 135.5 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 27' ' ' GLU . 69.8 t80 -121.45 170.9 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 26' ' ' PHE . 42.6 mt-10 -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -133.41 -40.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.63 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -154.69 169.21 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -157.09 -176.93 6.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -109.97 152.93 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 46' ' ' VAL . 1.7 t-20 -45.73 -23.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 7.5 m-20 -104.5 -57.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.3 m -47.29 -38.88 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' HZ ' ' CE2' ' A' ' 50' ' ' PHE . 5.2 t80 -57.59 99.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.1 m-20 -153.41 149.94 28.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' SER . 12.7 t -44.37 168.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -106.84 -12.61 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -105.16 -45.07 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 p -112.99 -1.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 2.4 m 45.11 47.03 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 44' ' ' SER . 9.1 tp -92.63 153.95 18.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.453 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 8.6 t -56.87 116.99 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.7 mt -103.36 -23.01 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG21 ' ND2' ' A' ' 33' ' ' ASN . 2.5 p -52.99 118.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.59 46.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -134.35 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.56 56.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CE2' ' HZ ' ' A' ' 36' ' ' PHE . 52.3 p90 -58.56 151.75 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mp -98.44 -176.44 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.421 HG22 ' CZ ' ' A' ' 26' ' ' PHE . 27.9 p -132.69 99.39 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.4 tt0 -76.03 166.19 23.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' GLU . 74.3 mtt180 -33.29 -69.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.16 25.79 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.0 m-20 -154.49 168.66 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.428 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.3 pt -111.7 159.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 13.6 mt -152.82 170.98 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.4 p -100.85 157.91 32.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 -36.4 27.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.78 -54.89 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.87 -55.57 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 36' ' ' PHE . 9.4 mm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -122.38 126.36 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.5 t80 -117.04 173.76 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 50.9 mt-10 -33.44 -51.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -133.3 -42.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -80.78 164.93 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.541 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 77.3 mt-30 -148.52 175.27 11.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 30.9 m-90 -162.89 -175.03 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -116.66 153.74 31.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -45.99 -21.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.59 -56.31 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 91.5 m -50.93 -42.49 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CG ' HG13 ' A' ' 24' ' ' ILE . 11.8 t80 -56.26 109.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 1.8 p30 -165.65 150.36 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -41.92 163.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -106.39 -2.3 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.86 -43.93 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.4 p -115.65 -0.83 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m 45.82 53.16 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.8 tp -96.31 155.44 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.416 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 33.7 t -65.33 113.83 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLY . 53.6 mt -105.98 -22.48 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.459 HG23 ' CD1' ' A' ' 24' ' ' ILE . 3.1 p -48.54 86.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 118.32 22.47 3.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -135.37 -177.41 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' A' ' 48' ' ' ARG . . . -94.84 65.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CE1' ' HZ ' ' A' ' 36' ' ' PHE . 26.7 p90 -67.11 158.67 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.65 -178.67 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.564 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.8 p -130.35 100.07 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -76.72 168.24 20.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -33.36 -68.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.28 25.82 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 6.5 m-20 -154.8 164.77 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.417 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 pt -106.02 160.24 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 14.7 mt -152.18 172.17 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.78 157.36 34.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.06 -39.2 33.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.81 -37.02 82.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -86.29 -58.08 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.505 HG13 ' CG ' ' A' ' 36' ' ' PHE . 10.5 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 p -123.34 124.99 44.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE2' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -116.1 174.5 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PHE . 14.4 mt-10 -34.59 -53.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -130.58 -44.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -79.61 163.92 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 20.5 mt-30 -151.21 170.44 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 24.7 m-90 -161.41 178.89 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -101.82 159.19 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -52.92 -20.21 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t0 -108.22 -53.19 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -52.29 -39.48 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.0 t80 -56.87 104.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 81.7 m-20 -155.7 150.94 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.1 t -45.2 166.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -106.99 -5.23 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -111.66 -42.26 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.72 -1.08 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 m 46.96 42.53 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' C ' HD22 ' A' ' 43' ' ' LEU . 3.2 tt -82.96 152.89 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 t -56.65 109.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 37' ' ' ASN . 62.8 mt -99.85 -21.23 15.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.15 108.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.95 18.15 32.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -127.08 -176.93 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.99 56.1 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 55.9 p90 -54.81 152.67 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 60' ' ' PRO . 3.9 mp -101.26 -175.93 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.549 HG21 ' CE2' ' A' ' 26' ' ' PHE . 16.9 p -128.19 110.07 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -86.56 165.38 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' GLU . 80.1 mtt180 -32.96 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.04 29.72 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 60.6 m-20 -161.05 170.2 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 pt -109.52 161.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.0 mt -154.43 168.66 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 26.2 p -96.35 158.07 34.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.451 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.98 -30.25 13.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.12 -53.78 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.94 -46.11 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.2 mm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 t -132.06 132.54 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 27' ' ' GLU . 29.6 t80 -119.58 174.42 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 26' ' ' PHE . 77.1 mm-40 -32.11 -50.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.76 167.35 20.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 26.0 mt-30 -149.06 174.6 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.8 m-90 -158.97 -174.99 5.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -112.04 161.86 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -50.83 -29.57 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.43 -55.54 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -46.17 -41.17 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.6 t80 -58.16 88.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -145.01 151.24 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.3 t -45.79 169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -108.13 -13.94 14.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -103.28 -45.6 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -111.98 -6.7 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.6 p 51.36 41.87 28.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 tp -86.0 149.87 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -58.09 110.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.0 mt -93.93 -33.37 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 p -38.7 112.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 31.92 15.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -141.08 173.81 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.17 57.63 4.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -59.3 153.46 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mp -101.11 -175.86 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.461 HG23 ' CZ ' ' A' ' 26' ' ' PHE . 22.0 p -132.5 99.79 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tp10 -79.21 169.42 18.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' GLU . 79.0 mmt-85 -34.98 -70.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.9 25.73 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.7 m-20 -154.88 171.14 20.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.432 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.2 pt -114.13 159.02 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.432 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.68 162.36 39.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.5 p -95.22 156.77 37.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.668 0.746 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -28.06 9.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -72.42 -41.16 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.9 m -83.4 -37.63 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.4 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.62 137.24 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 52' ' ' THR . 63.6 t80 -123.76 169.49 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.9 mm-40 -30.27 -56.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -125.93 -44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -81.46 177.63 8.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -158.55 156.8 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.3 m-90 -137.53 -175.04 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.43 162.52 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.49 -25.33 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 13.8 t70 -104.64 -51.46 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.09 -43.89 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.68 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 79.3 m-20 -152.84 150.24 29.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.6 t -48.65 164.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -108.02 -4.7 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -107.29 -52.55 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.69 -15.47 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t 63.57 49.07 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 44' ' ' SER . 13.1 tp -99.11 150.97 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.5 t -57.31 114.27 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 94.7 mt -96.21 -30.13 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 p -41.56 110.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.03 29.98 15.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -135.54 178.8 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.32 46.76 2.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -47.21 152.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -103.38 -175.89 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.571 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 56.3 p -128.74 105.33 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.1 tt0 -82.08 165.84 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -33.13 -70.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.78 25.77 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 51.8 m-20 -155.88 169.45 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -109.29 163.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.5 mt -153.04 170.75 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 17.4 p -102.9 157.16 34.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.97 -37.31 29.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.58 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 59.4 m -84.91 -56.28 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.833 0.349 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -121.97 121.28 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -111.7 176.31 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PHE . 6.2 mm-40 -35.62 -53.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -130.67 -44.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' NH2' ' HA ' ' A' ' 55' ' ' ASP . 34.6 mtt180 -75.58 162.96 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -149.73 158.24 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -151.21 -178.55 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 34' ' ' ASP . 19.9 m170 -106.77 137.93 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m120 -34.46 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 3.7 m-20 -92.9 -57.6 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 87.2 m -47.58 -49.53 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.6 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.8 m-20 -150.78 153.12 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -48.62 165.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -0.97 26.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -117.76 -43.38 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.15 -3.97 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m 55.1 30.07 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.8 tp -72.99 154.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.2 t -64.54 113.61 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 50' ' ' PHE . 59.7 mt -95.5 -31.29 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -44.49 108.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.23 33.63 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -144.64 171.76 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.0 46.01 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CB ' HD21 ' A' ' 45' ' ' LEU . 54.6 p90 -46.13 148.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.57 -175.71 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.456 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 21.0 p -134.12 99.27 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 54' ' ' ARG . 10.0 tt0 -81.0 165.26 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -30.09 -73.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' HA ' ' NH2' ' A' ' 29' ' ' ARG . 36.6 m-20 -124.25 27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 62.8 m-20 -157.59 169.57 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.435 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 pt -110.77 163.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' OE2' ' A' ' 53' ' ' GLU . 10.0 mt -151.18 159.54 44.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.32 154.79 41.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -48.0 -28.76 10.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.39 -36.77 66.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.8 m -86.78 -35.98 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -135.85 149.08 48.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -93.73 -52.19 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.39 150.36 20.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -98.52 38.14 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -131.73 113.9 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.5 -99.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -87.4 123.19 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' NE1' ' A' ' 31' ' ' TRP . . . -81.98 51.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.38 -65.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.8 p -89.72 25.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 34.8 p 35.6 47.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -144.06 156.72 58.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.2 69.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . 37.8 mt -97.35 145.43 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ILE . 43.7 t -34.01 -60.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.6 54.11 5.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tt -103.35 -58.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.43 65.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.18 70.31 0.75 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 22' ' ' LYS . 16.9 m -108.88 145.75 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 111.151 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' N ' HG23 ' A' ' 21' ' ' THR . 19.0 mtmm -78.61 54.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -109.38 162.96 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.3 mm -92.71 127.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -122.23 123.6 41.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 52' ' ' THR . 74.4 t80 -111.51 169.68 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 44.9 mt-10 -33.46 -50.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -131.85 -44.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 27.0 mtt180 -77.26 170.23 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 24.8 mt-30 -154.86 169.84 23.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.6 m-90 -162.52 -176.55 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -105.72 165.7 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' HG21 ' A' ' 46' ' ' VAL . 1.5 t-20 -59.12 -16.94 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.1 t70 -111.07 -52.28 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.1 m -52.16 -38.95 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.473 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.0 t80 -57.14 89.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 31.7 m-20 -142.91 150.32 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' N ' HD11 ' A' ' 45' ' ' LEU . 17.4 t -43.37 166.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -105.21 -4.21 21.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -113.37 -45.3 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.81 4.32 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m 41.72 43.8 2.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 tp -87.33 156.51 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 t -62.33 116.11 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 38' ' ' CYS . 50.5 mt -103.05 -19.22 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 HG21 ' ND2' ' A' ' 33' ' ' ASN . 2.2 p -55.48 113.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.1 27.41 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -135.13 -176.76 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.85 49.83 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CE2' ' HZ ' ' A' ' 36' ' ' PHE . 44.0 p90 -48.05 165.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 mp -113.08 -174.92 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.57 HG22 ' CZ ' ' A' ' 26' ' ' PHE . 42.3 p -134.45 100.59 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 tp10 -78.18 169.67 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 20.9 mtp180 -35.95 -70.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.17 26.88 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.0 m-20 -157.29 170.23 22.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.425 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -109.94 162.86 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 17.7 mt -154.07 173.96 15.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.0 p -105.95 158.31 32.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -48.0 -40.23 33.19 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.365 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -53.93 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.7 m -70.08 -58.06 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA2' ' CG1' ' A' ' 66' ' ' ILE . . . -47.43 -36.91 11.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -69.5 -38.28 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -112.08 53.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CG1' ' HA2' ' A' ' 63' ' ' GLY . 9.8 mm -78.34 116.68 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 m -45.16 -42.46 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -169.65 36.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.384 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -61.62 90.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 p -136.77 175.94 9.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.49 -179.953 . . . . . . . . 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 1.451 -0.331 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -124.58 -55.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -122.7 166.78 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.45 -177.41 15.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -70.18 146.7 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -167.02 140.53 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.74 -117.13 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . 1.7 t -81.85 98.58 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB2' ' NE1' ' A' ' 31' ' ' TRP . . . -41.93 -36.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.51 -70.4 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.1 p -96.9 20.26 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 11' ' ' CYS . 67.8 p 32.88 54.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -122.25 153.04 61.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.73 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG23 ' CG ' ' A' ' 23' ' ' TYR . 94.3 mt -67.88 83.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -155.29 105.03 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -123.04 -154.48 9.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLY . 9.9 mt -35.02 -55.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.06 69.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.41 38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 HG21 ' N ' ' A' ' 22' ' ' LYS . 47.5 m -83.77 143.44 29.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.186 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.479 ' N ' HG21 ' A' ' 21' ' ' THR . 46.8 mttp -81.42 20.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' CG ' HG23 ' A' ' 15' ' ' ILE . 33.2 p90 -48.02 149.05 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 36' ' ' PHE . 26.4 mm -76.31 123.04 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 p -119.84 116.96 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 27' ' ' GLU . 34.7 t80 -111.12 175.32 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 26' ' ' PHE . 30.8 mm-40 -30.57 -64.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -123.4 -37.01 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.573 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 69.4 mtm-85 -83.63 168.57 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -156.36 166.79 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 30.7 m-90 -156.0 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.469 ' CE1' HD22 ' A' ' 13' ' ' ASN . 20.3 m170 -108.49 162.94 13.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 1.8 m-80 -55.54 -25.07 35.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.5 m-20 -104.05 -50.06 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.6 m -54.33 -45.94 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -51.53 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 72.1 m-20 -146.07 149.99 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 t -44.94 167.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -105.21 -18.43 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -96.06 -60.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -94.77 -15.29 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 t 59.57 54.91 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.7 tp -103.83 151.26 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.421 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t -55.82 117.4 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.8 mt -100.96 -30.73 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.0 p -43.28 109.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.41 31.69 9.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -142.35 177.97 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.99 59.36 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CD2' ' HZ ' ' A' ' 36' ' ' PHE . 46.2 p90 -61.9 150.76 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mp -99.09 -175.0 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.6 p -132.86 99.8 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' ASP . 9.9 tp10 -78.16 169.69 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 53' ' ' GLU . 42.6 mtp180 -33.43 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.58 29.54 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' GLU . 15.7 m-20 -158.25 168.5 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.424 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 19.1 pt -111.56 156.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.42 169.54 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 p -99.8 158.6 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -47.98 -40.0 32.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.09 -41.0 91.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.8 m -83.76 -58.62 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.43 ' HA2' ' CG1' ' A' ' 66' ' ' ILE . . . -46.23 -35.14 6.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.68 -30.64 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -111.12 49.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CG1' ' HA2' ' A' ' 63' ' ' GLY . 40.6 mm -87.58 115.73 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t 52.45 43.69 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 141.68 3.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -130.21 150.91 51.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -73.76 -55.51 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.501 -179.962 . . . . . . . . 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 . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.2 m -36.72 149.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 4' ' ' GLY . 85.0 p -118.08 -45.35 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' N ' ' HG ' ' A' ' 3' ' ' SER . . . 131.07 151.03 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -144.25 139.07 28.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -54.76 164.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.47 -83.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' HB2' ' CG1' ' A' ' 15' ' ' ILE . 1.2 t -91.59 125.67 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . . . -83.1 51.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -149.95 -66.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.16 26.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.2 p 37.67 35.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -131.89 159.97 69.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.632 0.729 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.65 52.64 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG23 ' CG ' ' A' ' 23' ' ' TYR . 70.1 mt -109.5 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 t -174.4 149.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.47 -149.02 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.01 46.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.46 -151.99 23.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.3 171.51 50.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -155.33 154.1 31.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 77.9 mttt -90.05 28.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.479 ' CG ' HG23 ' A' ' 15' ' ' ILE . 28.1 p90 -55.39 151.84 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.485 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.2 mm -80.62 127.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.9 p -121.48 122.47 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 27' ' ' GLU . 33.8 t80 -111.61 171.66 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 5.5 mm-40 -33.17 -50.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -132.86 -41.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.558 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 34.7 mtm180 -78.93 168.84 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 63.2 mt-30 -153.65 170.37 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.558 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 31.4 m-90 -161.51 -175.03 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.6 m170 -111.21 154.25 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 31.1 m120 -49.16 -19.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 33.4 t0 -109.37 -52.92 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.8 m -51.54 -40.41 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.485 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -55.34 100.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 75.7 m-20 -152.47 148.32 27.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.4 t -42.91 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -107.25 -3.13 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -113.65 -42.13 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.45 -0.68 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 47.74 41.67 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -88.62 150.55 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -54.92 120.52 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.9 mt -105.93 -26.52 11.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.9 111.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.89 16.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 9.5 mtp-105 -140.52 175.64 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.17 60.99 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -64.22 152.38 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.35 -175.68 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.0 p -132.87 99.29 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 tt0 -76.53 165.13 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.3 mtt-85 -32.32 -72.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -123.01 28.22 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 11.3 m-20 -158.04 170.1 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.8 pt -111.59 159.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -150.27 168.7 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.0 p -104.09 157.11 34.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.937 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.95 -39.55 32.49 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -88.75 -58.36 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -45.6 -45.18 12.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.8 pttp -33.89 -45.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -38.84 -49.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.7 mt -40.58 120.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.9 p -80.45 42.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.66 -129.07 4.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 139.49 40.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.0 p -43.28 118.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.4 p -106.5 42.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.495 179.966 . . . . . . . . 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 1.451 -0.307 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -149.14 134.57 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -44.32 -49.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.17 -141.19 12.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -132.61 44.36 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -102.3 123.04 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.2 -111.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . 1.4 t -72.34 94.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -38.69 -31.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' THR . 14.8 p -94.59 17.84 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 11' ' ' CYS . 73.0 p 36.6 54.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -123.15 154.31 64.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 104.16 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 HD11 ' N ' ' A' ' 8' ' ' CYS . 93.3 mt -69.96 -51.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' GLY . 12.6 t -39.49 -40.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -35.98 -41.69 0.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 18' ' ' LEU . 1.9 tt -100.52 123.95 45.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' N ' HD22 ' A' ' 18' ' ' LEU . . . -77.79 157.52 45.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . . . 35.47 90.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 22' ' ' LYS . 96.6 m -137.73 152.9 49.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' N ' HG22 ' A' ' 21' ' ' THR . 52.4 mttm -84.21 31.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 25' ' ' SER . 18.3 p90 -71.48 156.19 39.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 36' ' ' PHE . 1.8 mp -86.57 119.32 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.427 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 59.6 p -114.69 121.15 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CE2' HG23 ' A' ' 52' ' ' THR . 27.6 t80 -111.65 173.73 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 67.3 mt-10 -33.19 -53.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -131.49 -44.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -75.4 166.29 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 49.9 mt-30 -150.24 169.27 21.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.2 m-90 -161.8 -175.98 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.541 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 25.3 m170 -112.28 152.6 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -44.59 -25.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -103.88 -56.77 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.2 m -47.31 -41.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.9 t80 -55.82 97.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -147.17 151.33 36.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.77 166.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -105.38 -3.93 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -115.09 -42.06 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.2 p -119.08 0.99 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m 43.66 48.77 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 44' ' ' SER . 8.2 tp -91.4 149.3 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 43.3 t -56.12 106.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.8 mt -93.83 -30.76 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 p -41.02 118.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.47 28.87 42.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.3 173.81 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.71 55.32 4.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -57.48 151.42 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mp -97.02 -174.82 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.559 HG23 ' CE2' ' A' ' 26' ' ' PHE . 33.1 p -134.02 99.12 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 56' ' ' ASP . 10.2 tt0 -78.05 168.27 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 55.6 mtm180 -34.17 -70.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.49 28.08 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' GLU . 44.2 m-20 -158.11 169.34 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.435 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -111.57 159.75 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 8.9 mt -150.81 165.29 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.5 p -98.98 156.66 35.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.91 -31.74 16.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.45 -35.83 79.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 96.6 m -89.91 -48.56 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -57.69 -46.24 92.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.452 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . 13.0 ptmm? -37.0 -37.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 66' ' ' ILE . 7.3 m-20 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' GLY . 34.2 mm -32.4 -59.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 96.8 p -105.51 50.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.89 -119.27 2.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.0 Cg_endo -69.82 3.62 2.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.303 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.1 t -36.91 151.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -118.94 166.58 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.547 -179.958 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -117.85 84.89 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -132.95 173.93 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.75 -96.52 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -117.75 160.45 21.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -165.61 166.62 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.23 -148.67 19.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.402 ' N ' HD13 ' A' ' 15' ' ' ILE . 4.3 t -62.01 109.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -55.25 -32.13 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.44 -77.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.3 p -89.11 24.27 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 70.5 p 33.4 52.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -131.98 161.01 65.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.32 37.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG21 ' CG ' ' A' ' 23' ' ' TYR . 63.8 mt -103.21 153.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 15' ' ' ILE . 4.1 t 71.16 43.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.03 -48.21 6.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.8 -47.45 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.75 88.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.47 101.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.6 m -161.74 154.19 19.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 37.0 mttp -84.26 22.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CG ' HG21 ' A' ' 15' ' ' ILE . 23.0 p90 -46.28 155.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 36' ' ' PHE . 3.1 mp -84.11 113.03 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.413 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 37.8 p -109.36 119.97 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.9 t80 -112.09 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 4.4 mm-40 -33.26 -53.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.59 -44.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 55.1 mtt180 -78.34 163.95 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 80.8 mt-30 -146.15 172.16 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 32.1 m-90 -162.62 -175.06 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.556 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 16.1 m170 -113.37 152.44 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 2.0 m-80 -44.09 -29.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.0 t0 -98.4 -56.33 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -48.04 -47.03 33.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CD2' HG12 ' A' ' 24' ' ' ILE . 5.2 t80 -51.93 91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 38.6 m-20 -145.59 148.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.52 166.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -107.18 -12.6 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -99.29 -54.2 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 p -102.88 -15.86 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 62.35 54.85 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.2 152.85 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.3 t -56.56 119.91 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -104.89 -28.12 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -44.59 113.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.9 29.91 22.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -138.4 178.23 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.03 47.44 2.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.422 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.402 ' CE2' ' HZ ' ' A' ' 36' ' ' PHE . 47.8 p90 -48.36 153.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mp -99.8 -178.91 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.476 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 p -130.86 100.3 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.1 tp10 -77.82 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -34.85 -68.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -126.49 25.55 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 72.4 m-20 -154.66 172.15 18.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.1 pt -114.93 158.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 7.6 mt -148.23 172.56 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.0 p -106.51 156.27 37.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.0 -39.73 32.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -35.69 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.7 m -90.05 -57.98 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -45.66 -39.55 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.469 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' GLY . 13.6 pttm -35.99 -43.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 11.1 t70 -63.41 -42.44 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' GLY . 36.2 mm -42.52 118.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.5 p -91.57 -44.25 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.83 -143.2 40.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 149.84 67.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.6 m -40.43 -41.05 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p 41.14 42.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.497 -179.991 . . . . . . . . 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 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -43.3 105.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -114.97 165.0 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.85 117.12 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -119.69 -45.87 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -86.02 122.14 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.73 172.67 28.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -61.72 121.42 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB2' ' NE1' ' A' ' 31' ' ' TRP . . . -81.42 39.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.81 -70.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -85.94 28.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p 39.08 48.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -141.1 149.12 54.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.12 39.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.487 HG23 ' CD2' ' A' ' 23' ' ' TYR . 44.2 mt -121.83 157.21 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' GLY . 28.8 t -42.07 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -38.15 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.11 135.02 37.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.95 -159.3 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.99 2.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 22' ' ' LYS . 22.1 m -88.15 156.14 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.176 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' N ' HG21 ' A' ' 21' ' ' THR . 26.7 mtmt -82.47 69.36 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.487 ' CD2' HG23 ' A' ' 15' ' ' ILE . 16.2 p90 -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CD1' HG23 ' A' ' 46' ' ' VAL . 37.3 mm -104.51 135.52 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -132.23 135.31 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.8 t80 -126.23 175.45 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' PHE . 43.0 mt-10 -30.83 -56.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -130.77 -40.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 82.2 mtt180 -79.72 171.43 15.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 69.5 mt-30 -154.56 173.39 16.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.513 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 31.7 m-90 -161.44 -174.98 4.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -115.82 144.12 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -40.49 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' HIS . 30.7 t0 -100.11 -53.28 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.4 m -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -45.92 97.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 78.8 m-20 -151.1 147.24 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.1 t -43.41 166.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -109.99 -10.08 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -101.3 -52.87 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 p -103.67 -17.22 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t 65.04 51.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -103.38 152.84 21.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -58.31 119.85 7.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -103.24 -32.25 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.453 HG23 ' CD1' ' A' ' 24' ' ' ILE . 5.5 p -40.89 109.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.47 30.37 10.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -140.06 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.06 50.85 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -52.47 153.16 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mp -102.76 -179.53 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.55 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 34.7 p -128.86 99.73 5.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ASP . 23.1 tt0 -75.92 166.09 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 25.5 mtm180 -34.01 -68.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.26 26.34 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' GLU . 8.1 m-20 -155.39 176.67 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.62 157.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 mt -147.86 168.4 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 20.2 p -100.92 156.87 34.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.428 ' O ' ' CG ' ' A' ' 64' ' ' LYS . 65.4 Cg_exo -47.92 -35.64 25.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.16 -35.54 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.2 m -87.18 -54.49 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' ' 66' ' ' ILE . . . -54.07 -42.33 71.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -48.91 -30.97 6.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -87.03 30.91 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 67' ' ' SER . 40.7 mt -120.23 144.84 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.468 ' N ' HG21 ' A' ' 66' ' ' ILE . 7.3 m 62.56 41.57 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.0 -140.67 11.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 83.44 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -139.49 -179.96 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.1 m -75.53 111.73 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 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 -0.273 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -133.21 86.72 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -150.35 137.61 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.98 130.11 2.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -82.11 171.56 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -85.83 157.38 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.13 -120.49 1.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 t -76.2 127.12 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.84 45.27 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.5 -69.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.0 p -85.56 28.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' CYS . 52.3 p 35.36 43.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -139.01 158.41 69.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' SER . 62.8 mt -119.08 151.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ILE . 46.4 t -34.6 -50.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.77 -123.11 6.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.08 -53.86 24.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.05 120.07 4.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 126.07 6.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -154.12 149.62 27.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -83.7 37.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 25' ' ' SER . 9.8 p90 -81.06 159.93 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' A' ' 36' ' ' PHE . 1.4 mp -91.5 118.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.55 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 35.5 p -115.66 120.44 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' CE2' HG22 ' A' ' 52' ' ' THR . 22.3 t80 -109.84 172.45 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PHE . 51.9 mt-10 -35.08 -55.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.8 -43.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 19.8 mtt180 -79.13 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.552 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 56.2 mt-30 -153.97 172.13 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.9 m-90 -162.94 -175.69 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.542 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 16.4 m170 -113.59 156.35 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -44.93 -34.12 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 25.2 m-20 -96.08 -58.39 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -43.97 -44.2 7.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.0 t80 -56.03 102.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 76.7 m-20 -153.53 147.33 25.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.436 ' HB3' ' N ' ' A' ' 42' ' ' SER . 12.4 t -44.23 169.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -106.78 -15.02 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -102.07 -49.04 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.77 -4.37 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.436 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 2.1 m 48.25 44.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.92 150.65 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -53.36 111.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 mt -97.63 -31.21 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 p -44.61 117.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 29.8 33.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -138.54 177.28 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.35 55.52 3.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -58.57 156.81 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mp -103.28 -174.88 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.56 HG22 ' CE2' ' A' ' 26' ' ' PHE . 28.7 p -132.96 99.8 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 10.0 tt0 -78.73 164.53 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -32.72 -69.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.62 26.49 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.4 m-20 -156.42 169.54 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.424 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 pt -113.94 159.47 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 7.5 mt -150.07 168.63 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.8 p -102.07 157.1 34.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.03 -34.84 24.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.75 -36.62 84.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -88.98 -53.7 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -52.77 -47.36 58.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLY . 13.1 ptmm? -35.14 -40.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -46.72 -49.44 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -42.02 113.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -88.41 46.44 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.76 -130.8 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.75 40.78 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 61.14 41.43 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 p -87.51 42.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.491 -179.994 . . . . . . . . 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 1.45 -0.374 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -51.25 115.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -150.98 159.37 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.24 -147.06 17.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -158.26 128.73 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -118.31 92.91 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.93 -143.34 9.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -98.92 102.96 14.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.78 -22.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.72 -86.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -85.91 18.37 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.0 p 40.25 54.81 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.481 ' ND2' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -127.07 157.48 71.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.719 . . . . 0.0 110.861 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.481 ' HD2' ' ND2' ' A' ' 13' ' ' ASN . 54.2 Cg_endo -69.77 118.28 5.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG22 ' CG ' ' A' ' 23' ' ' TYR . 55.5 mt -82.81 -47.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -47.47 146.04 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.07 -82.59 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 tp -109.92 -51.03 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.39 134.66 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.08 60.28 5.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -97.65 153.66 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 111.183 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -83.34 67.6 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' CG ' HG22 ' A' ' 15' ' ' ILE . 13.5 p90 -125.32 172.19 9.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' A' ' 36' ' ' PHE . 5.6 mm -101.1 134.39 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 t -133.57 134.64 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' HG22 ' A' ' 52' ' ' THR . 20.6 t80 -121.8 175.93 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.3 mm-40 -33.86 -48.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.88 -44.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -78.54 164.44 24.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -153.77 165.57 35.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -154.8 176.91 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -98.57 162.04 13.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' ND2' HG23 ' A' ' 46' ' ' VAL . 1.6 t-20 -56.2 -23.12 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.6 t70 -104.84 -50.77 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -53.69 -44.25 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CB ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.88 103.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 83.0 m-20 -154.67 149.06 26.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -44.12 168.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -13.81 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -100.49 -41.3 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 p -116.75 -12.07 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m 56.85 46.42 19.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.5 tp -94.46 155.45 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -56.19 113.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.9 mt -101.94 -18.65 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 HG23 ' ND2' ' A' ' 33' ' ' ASN . 2.0 p -57.64 108.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 21.64 26.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -130.19 -179.64 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.53 55.64 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -54.28 150.02 9.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -100.6 -175.98 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.561 HG22 ' CE2' ' A' ' 26' ' ' PHE . 20.9 p -129.77 100.21 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.498 ' OE1' ' CD1' ' A' ' 58' ' ' LEU . 16.2 tt0 -78.27 164.83 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -33.74 -70.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.07 25.91 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 24.4 m-20 -156.73 175.03 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -115.8 160.81 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' CD1' ' OE1' ' A' ' 53' ' ' GLU . 9.8 mt -150.2 169.89 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.5 p -104.6 157.07 34.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.95 -40.17 32.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -59.71 -36.05 75.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -89.18 -57.54 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -45.53 -38.93 7.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -42.24 -23.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.2 m-20 -83.04 23.25 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' GLY . 15.1 mt -133.79 76.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -125.22 -49.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.92 -156.01 15.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.61 31.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.382 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.1 t -170.09 144.07 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 p -92.87 101.15 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.494 179.99 . . . . . . . . 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 -0.32 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -142.66 113.99 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -80.64 46.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.15 74.65 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -168.72 117.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -129.42 97.6 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.07 175.78 41.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -50.41 98.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB1' ' NE1' ' A' ' 31' ' ' TRP . . . -42.1 -30.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.27 -81.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.0 p -85.13 23.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' CYS . 71.3 p 35.62 45.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -126.2 154.62 74.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.32 19.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' SER . 61.4 mt -86.14 149.1 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' ILE . 43.1 t -34.24 -62.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.05 43.55 98.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -131.26 37.9 3.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.84 129.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.78 87.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 ' O ' ' CG2' ' A' ' 21' ' ' THR . 18.5 m -126.78 -11.51 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm 63.74 52.14 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -118.41 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.421 ' CD1' HG21 ' A' ' 46' ' ' VAL . 43.4 mm -99.0 121.08 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 p -119.43 127.4 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CE2' HG23 ' A' ' 52' ' ' THR . 14.6 t80 -117.69 177.18 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 58.8 mm-40 -32.94 -55.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.83 -43.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -75.69 161.81 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -145.56 151.23 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.466 ' NE1' ' HB1' ' A' ' 9' ' ' ALA . 30.4 m-90 -142.76 172.86 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -97.78 136.35 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m-20 -33.71 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' HIS . 19.5 t0 -90.3 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -49.69 -51.71 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.83 100.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -154.6 151.01 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' N ' HD13 ' A' ' 45' ' ' LEU . 16.1 t -45.46 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -106.2 -17.45 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -95.79 -56.96 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.31 -15.08 18.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t 58.85 54.93 4.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 44' ' ' SER . 31.9 tp -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.459 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 41.2 t -59.46 113.97 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 38' ' ' CYS . 67.5 mt -101.0 -30.25 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 24' ' ' ILE . 4.0 p -48.28 110.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.28 27.69 17.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -137.54 -176.61 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.5 57.78 2.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -61.35 145.93 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.84 -177.03 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.469 HG23 ' CE2' ' A' ' 26' ' ' PHE . 18.4 p -128.06 104.75 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' ASP . 7.8 tt0 -82.57 167.0 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.0 mtt180 -34.15 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -122.35 28.39 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 m-20 -160.08 171.77 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.2 pt -112.06 159.29 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.458 HD11 ' CG ' ' A' ' 53' ' ' GLU . 9.2 mt -148.56 170.96 16.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.5 p -104.13 156.38 35.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.97 -38.6 31.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -37.02 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -87.79 -57.13 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -47.81 -48.94 23.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 18.1 ptmt -34.47 -44.05 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -46.93 -49.2 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.2 mt -48.28 105.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.7 p -107.37 42.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.41 -176.19 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 84.26 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.389 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.5 p -117.52 89.06 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -118.04 85.78 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.515 -179.969 . . . . . . . . 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 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -53.17 -54.0 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -106.31 94.39 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.68 158.91 28.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.0 p -168.72 110.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 97.2 p -36.23 108.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.45 -151.34 11.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -79.12 98.8 6.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.85 -27.15 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.99 -79.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.2 p -89.57 27.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 63.6 p 33.2 52.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -134.0 154.61 80.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.36 60.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG21 ' CD2' ' A' ' 23' ' ' TYR . 76.0 mt -108.13 -41.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -39.5 114.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.22 -128.08 4.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.73 -51.33 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.38 -126.8 5.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.35 -176.09 34.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -175.21 137.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 35.4 mttp -81.64 11.38 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.572 ' CD2' HG21 ' A' ' 15' ' ' ILE . 9.0 p90 -53.08 167.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.605 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.1 mp -97.61 135.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 t -132.59 131.96 42.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CE2' HG23 ' A' ' 52' ' ' THR . 24.1 t80 -120.5 174.45 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 26' ' ' PHE . 19.1 mm-40 -32.25 -49.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -135.04 -42.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -78.09 165.68 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.528 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 63.9 mt-30 -148.62 173.09 13.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.0 m-90 -162.46 -175.12 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.529 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 18.4 m170 -117.28 165.85 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 2.6 m-80 -55.41 -28.51 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.9 t70 -99.57 -50.59 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -54.89 -46.62 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.588 ' CD2' HG12 ' A' ' 24' ' ' ILE . 4.4 t80 -54.31 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 12.3 m-20 -145.92 147.91 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.8 t -45.34 166.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -3.47 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -114.03 -41.66 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.84 -0.47 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 m 45.98 45.39 12.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -90.47 148.84 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -54.61 111.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.7 mt -97.98 -26.55 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -45.74 117.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.0 32.41 32.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -138.2 177.3 7.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.16 51.95 3.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CD1' ' CE2' ' A' ' 36' ' ' PHE . 52.4 p90 -55.27 158.06 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -105.54 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.479 HG23 ' CE2' ' A' ' 26' ' ' PHE . 19.3 p -129.02 103.8 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.6 tt0 -81.63 163.23 22.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 53' ' ' GLU . 18.7 mmt85 -33.04 -68.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -125.21 25.14 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLU . 63.4 m-20 -155.71 173.56 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.8 pt -116.43 155.86 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -145.92 170.03 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.9 p -102.93 157.21 34.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.74 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -48.03 -36.21 27.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -63.44 -39.88 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -84.78 -54.21 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -51.63 -53.6 28.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 65' ' ' ASP . 12.7 pttp -36.45 -44.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 15.7 t0 -59.41 -43.79 92.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLY . 71.6 mt -62.6 114.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -53.59 -52.72 58.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.97 123.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -18.94 36.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -125.62 -58.62 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 t -65.14 152.58 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.495 -179.998 . . . . . . . . 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 -0.364 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -74.55 101.37 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -131.23 154.55 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 150.13 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -85.22 42.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -135.96 171.5 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 -152.16 19.72 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.37 101.89 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.28 -26.08 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.81 -78.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.3 p -91.56 26.11 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' CYS . 62.4 p 33.77 54.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -132.12 158.59 75.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.37 14.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.536 HD11 ' CD2' ' A' ' 23' ' ' TYR . 96.7 mt -86.12 -54.77 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -50.96 128.15 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.57 -75.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.23 -128.23 1.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.7 -176.84 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -174.61 136.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.124 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 77.2 mttt -81.43 10.19 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.536 ' CD2' HD11 ' A' ' 15' ' ' ILE . 5.8 p90 -53.47 168.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.523 HG13 ' CG ' ' A' ' 36' ' ' PHE . 26.1 mm -96.34 123.19 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -118.16 128.21 54.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 27' ' ' GLU . 16.0 t80 -119.06 175.68 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 61.8 mt-10 -32.51 -54.4 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -132.88 -43.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -74.76 162.4 28.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 67.5 mt-30 -144.88 168.46 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 27.0 m-90 -161.54 179.76 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -105.99 153.86 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 20.5 m120 -48.56 -23.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -104.03 -53.54 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 81.5 m -51.07 -43.2 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.523 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.3 t80 -51.64 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 66.0 m-20 -146.29 150.77 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.0 t -43.52 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -105.32 -16.57 14.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -96.8 -59.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -95.65 -16.31 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.5 t 61.05 54.57 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 tp -103.06 153.26 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -56.89 115.31 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.5 mt -99.51 -27.44 13.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -43.08 113.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 32.22 30.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -136.47 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.27 52.75 3.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.402 ' CE2' ' HZ ' ' A' ' 36' ' ' PHE . 46.6 p90 -57.18 148.38 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mp -98.0 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.458 HG22 ' CE2' ' A' ' 26' ' ' PHE . 19.9 p -128.21 101.25 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 4.0 tt0 -79.66 165.63 22.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -31.45 -72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -124.25 27.29 7.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 38.3 m-20 -156.76 165.96 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.424 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -109.18 160.07 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 10.5 mt -151.31 171.76 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.0 p -104.03 156.21 36.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 64' ' ' LYS . 64.4 Cg_exo -47.95 -34.07 21.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.5 -40.95 93.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.09 -52.48 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.89 -51.44 49.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' PRO . 21.2 ptmt -43.59 -42.68 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.95 -46.48 71.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 78.1 mt -38.1 107.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.3 t -107.12 45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.0 -147.91 23.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.6 31.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.225 . . . . 0.0 112.355 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 t -48.21 -57.54 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -111.73 150.13 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.485 -179.985 . . . . . . . . 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 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -74.75 103.71 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -156.93 131.94 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.38 -41.58 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -67.3 91.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -61.69 -51.86 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.96 -147.33 18.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 t -68.21 101.51 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -81.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' THR . 24.6 p -84.61 25.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 61.3 p 33.94 49.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -133.47 156.09 80.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.2 22.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 HG12 ' NE2' ' A' ' 32' ' ' HIS . 55.5 mt -90.91 102.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.3 t -171.58 150.29 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.42 -102.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' GLY . 6.3 tp -52.16 158.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' LEU . . . -33.0 -67.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.09 91.56 0.15 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 m -66.55 150.97 48.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 30.1 mttp -84.44 26.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -49.41 157.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.522 HG13 ' CG ' ' A' ' 36' ' ' PHE . 14.7 mm -86.91 125.98 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.3 p -119.69 124.91 47.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CE2' HG22 ' A' ' 52' ' ' THR . 17.8 t80 -117.43 178.24 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 20.6 mt-10 -33.76 -56.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.39 -43.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 65.4 mtt180 -76.17 166.26 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-30 -149.43 170.35 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.1 m-90 -160.75 -174.98 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' NE2' HG12 ' A' ' 15' ' ' ILE . 18.5 m170 -115.45 160.3 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 1.7 m-80 -50.19 -24.22 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -105.24 -54.02 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.82 -40.27 60.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.7 t80 -59.61 89.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 152.46 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 t -46.4 167.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -105.51 -16.88 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -97.64 -58.09 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.79 -14.37 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 p 58.08 54.05 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.19 148.95 25.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -53.62 119.12 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.9 mt -101.42 -30.56 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -39.48 118.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.67 29.62 42.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -136.45 -179.93 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.88 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -57.15 157.49 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.03 -177.63 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.568 HG22 ' CE2' ' A' ' 26' ' ' PHE . 22.1 p -131.08 98.3 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 54' ' ' ARG . 3.3 tp10 -82.04 165.9 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 53' ' ' GLU . 46.2 mtt180 -31.73 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -123.67 27.94 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 63.3 m-20 -157.38 169.03 25.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.41 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 16.8 pt -114.52 162.72 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD12 ' CD ' ' A' ' 53' ' ' GLU . 9.8 mt -149.96 169.1 21.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.0 p -99.45 157.79 33.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.02 -30.14 13.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -53.97 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.9 m -69.21 -44.18 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -67.19 -33.83 84.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.4 tttm -29.75 -66.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -37.5 -48.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 84.4 mt -35.7 121.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.1 p 40.66 49.59 2.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 142.75 4.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 111.99 2.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 71' ' ' SER . 15.8 t 49.2 42.41 21.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 70' ' ' SER . 6.6 t -37.45 -59.69 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.525 -179.954 . . . . . . . . 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 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m 58.95 44.24 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -51.42 110.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.29 116.2 0.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -46.28 119.72 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m -66.5 101.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.0 -152.02 43.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 12' ' ' THR . 11.6 t -55.8 98.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.47 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -40.57 -38.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.95 -77.84 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.0 p -90.04 19.37 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' CYS . 72.3 p 34.6 48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.71 153.39 49.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.38 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' A' ' 23' ' ' TYR . 82.4 mt -70.14 89.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 t -170.9 123.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.92 -88.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.12 91.2 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.02 -132.56 3.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.72 140.61 37.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.7 m -139.12 144.23 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -76.3 48.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CD2' HG22 ' A' ' 15' ' ' ILE . 12.7 p90 -97.48 158.38 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.497 HG13 ' CG ' ' A' ' 36' ' ' PHE . 17.8 mm -88.19 124.97 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -119.82 123.63 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 52' ' ' THR . 47.7 t80 -114.63 173.14 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 46.5 mm-40 -32.8 -54.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.48 -44.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -75.76 166.53 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 36.2 mt-30 -150.16 169.69 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.503 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.7 m-90 -161.3 -176.33 5.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -110.38 154.12 23.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.87 -24.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -103.96 -52.73 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -51.87 -44.64 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.497 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.31 96.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.0 m-20 -147.39 153.9 40.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.0 t -49.24 169.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -108.98 -10.55 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -105.26 -41.98 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.09 0.05 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 m 47.56 37.89 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 tp -80.79 155.14 26.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.2 t -61.88 113.45 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.8 mt -98.73 -32.07 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.8 118.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 31.99 42.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -138.57 172.21 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.43 50.56 4.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -53.28 157.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.13 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 17.0 p -126.11 101.75 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 17.4 tt0 -78.64 162.13 26.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' GLU . 51.1 mtm-85 -32.29 -70.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -122.86 27.76 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 35.1 m-20 -159.45 178.51 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.2 pt -119.18 156.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.493 ' CD1' ' OE1' ' A' ' 53' ' ' GLU . 6.5 mt -146.99 165.37 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.3 p -97.73 155.46 37.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 64' ' ' LYS . 65.3 Cg_exo -48.05 -31.77 16.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.83 -38.79 80.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.3 m -85.05 -43.99 13.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -60.34 -38.64 94.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 60' ' ' PRO . 12.0 ptmt -39.81 -33.51 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -84.61 28.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' GLY . 50.9 mt -122.84 81.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -89.3 42.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.0 -165.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.432 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.9 Cg_endo -69.68 -49.79 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 0.0 112.362 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 76.8 p -37.38 135.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -172.12 133.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.503 179.989 . . . . . . . . 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 -0.312 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 m -77.59 99.83 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 t -63.97 122.41 16.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.93 -123.95 25.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m 65.09 47.12 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -109.57 -64.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 -148.0 5.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 99.47 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' HB2' ' NE1' ' A' ' 31' ' ' TRP . . . -50.71 -22.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.18 -80.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 24.6 p -83.49 21.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' CYS . 69.0 p 34.63 54.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.79 158.06 73.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.81 8.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG12 ' NE2' ' A' ' 32' ' ' HIS . 67.1 mt -76.48 -65.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -168.53 176.6 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.56 -35.27 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.17 -71.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.82 -162.52 29.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.28 93.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -162.68 153.64 17.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 25.0 mttm -83.43 70.15 10.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -131.3 173.95 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.1 mm -102.61 124.61 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 p -120.64 127.26 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.525 ' CE2' HG22 ' A' ' 52' ' ' THR . 14.1 t80 -115.43 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.5 mm-40 -34.39 -57.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -128.08 -41.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 8.1 mtp85 -72.93 177.27 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' CG ' ' C ' ' A' ' 29' ' ' ARG . 10.7 mt-30 -159.36 163.03 35.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.466 ' NE1' ' HB2' ' A' ' 9' ' ' ALA . 31.1 m-90 -157.99 -175.83 5.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 15' ' ' ILE . 16.1 m170 -110.96 145.04 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 22' ' ' LYS . 2.4 m120 -40.68 -32.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 4.6 t70 -93.85 -54.64 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 83.1 m -49.99 -52.28 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -42.26 104.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.9 m-20 -156.72 153.08 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.0 t -47.42 164.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.95 -7.59 18.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -106.76 -51.14 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.04 -8.39 16.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.1 p 52.8 54.92 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD21 ' NH1' ' A' ' 48' ' ' ARG . 38.2 tp -103.41 150.86 23.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -52.71 109.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.4 mt -97.19 -20.43 17.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -55.26 114.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.96 23.46 41.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' NH1' HD21 ' A' ' 43' ' ' LEU . 33.1 mtp180 -130.98 -178.92 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.83 52.86 2.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.29 147.59 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mp -100.48 -175.11 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 ' CE2' ' A' ' 26' ' ' PHE . 35.3 p -133.32 100.38 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.8 tt0 -76.67 166.39 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 91.4 mtt180 -31.55 -70.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.68 27.49 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' GLU . 71.1 m-20 -156.03 163.34 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.431 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -106.16 159.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 16.1 mt -154.06 172.05 18.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.7 p -102.94 158.75 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -41.32 33.0 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -52.79 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.5 m -73.1 -58.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.03 -56.06 2.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -54.16 -42.44 69.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -64.98 -34.73 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' ASP . 41.4 mm -35.01 119.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -39.06 -56.93 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.87 130.53 1.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 153.42 69.01 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -68.42 168.66 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.6 p -161.79 167.43 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.471 -179.947 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -134.85 169.65 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.383 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -82.59 101.36 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.15 85.72 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -119.89 83.41 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -166.97 146.28 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.03 -148.27 18.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -71.15 103.67 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HB2' ' NE1' ' A' ' 31' ' ' TRP . . . -57.96 -14.05 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.76 -77.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -85.57 27.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.1 p 37.58 50.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -141.4 160.01 58.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.68 48.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.527 HG22 ' CD2' ' A' ' 23' ' ' TYR . 63.2 mt -116.71 114.97 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -168.28 159.98 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.63 -165.81 38.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.9 tp -96.94 118.37 33.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLY . . . 67.36 166.18 2.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . . . -35.94 106.09 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.5 m -79.03 -10.32 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mttp 62.68 38.02 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.527 ' CD2' HG22 ' A' ' 15' ' ' ILE . 20.0 p90 -91.36 167.3 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mm -99.78 137.02 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -130.17 135.5 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' O ' ' C ' ' A' ' 27' ' ' GLU . 69.8 t80 -121.45 170.9 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 26' ' ' PHE . 42.6 mt-10 -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -133.41 -40.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.63 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -154.69 169.21 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.414 ' NE1' ' HB2' ' A' ' 9' ' ' ALA . 31.3 m-90 -157.09 -176.93 6.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -109.97 152.93 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 46' ' ' VAL . 1.7 t-20 -45.73 -23.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 7.5 m-20 -104.5 -57.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.3 m -47.29 -38.88 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' HZ ' ' CE2' ' A' ' 50' ' ' PHE . 5.2 t80 -57.59 99.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.1 m-20 -153.41 149.94 28.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 42' ' ' SER . 12.7 t -44.37 168.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -106.84 -12.61 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -105.16 -45.07 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 p -112.99 -1.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 2.4 m 45.11 47.03 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 44' ' ' SER . 9.1 tp -92.63 153.95 18.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.453 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 8.6 t -56.87 116.99 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.7 mt -103.36 -23.01 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG21 ' ND2' ' A' ' 33' ' ' ASN . 2.5 p -52.99 118.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.59 46.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -134.35 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.56 56.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CE2' ' HZ ' ' A' ' 36' ' ' PHE . 52.3 p90 -58.56 151.75 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mp -98.44 -176.44 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.421 HG22 ' CZ ' ' A' ' 26' ' ' PHE . 27.9 p -132.69 99.39 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.4 tt0 -76.03 166.19 23.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' GLU . 74.3 mtt180 -33.29 -69.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.16 25.79 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.0 m-20 -154.49 168.66 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.428 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.3 pt -111.7 159.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 13.6 mt -152.82 170.98 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.4 p -100.85 157.91 32.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 -36.4 27.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.78 -54.89 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.87 -55.57 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -53.16 -34.8 47.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 ttpt -30.5 -53.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -46.01 -49.43 16.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 63' ' ' GLY . 67.4 mt -50.79 113.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 t 62.24 40.67 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.65 -128.84 5.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.8 Cg_endo -69.79 90.61 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' PRO . 32.0 p -36.43 124.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -113.03 -58.65 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.464 179.952 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -100.93 97.41 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -101.73 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 -47.69 0.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -119.72 93.57 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 p -123.7 101.14 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.06 -93.78 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.9 119.99 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.97 46.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.42 -68.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.1 p -84.52 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' CYS . 43.4 p 37.26 44.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -144.74 154.55 55.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 173.78 10.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG21 ' CG ' ' A' ' 23' ' ' TYR . 65.7 mt -121.27 -58.41 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ILE . 3.1 m 35.23 54.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 79.03 0.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.42 -51.98 45.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.93 -63.81 2.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.518 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.59 36.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.4 m -60.54 144.68 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.64 19.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CG ' HG21 ' A' ' 15' ' ' ILE . 28.1 p90 -44.43 151.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 36' ' ' PHE . 9.4 mm -81.54 129.44 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -122.38 126.36 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.5 t80 -117.04 173.76 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 50.9 mt-10 -33.44 -51.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -133.3 -42.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -80.78 164.93 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.541 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 77.3 mt-30 -148.52 175.27 11.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 30.9 m-90 -162.89 -175.03 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.415 ' NE2' HG12 ' A' ' 15' ' ' ILE . 26.9 m80 -116.66 153.74 31.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -45.99 -21.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.59 -56.31 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.481 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 91.5 m -50.93 -42.49 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CG ' HG13 ' A' ' 24' ' ' ILE . 11.8 t80 -56.26 109.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 1.8 p30 -165.65 150.36 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -41.92 163.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -106.39 -2.3 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.86 -43.93 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.4 p -115.65 -0.83 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m 45.82 53.16 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.8 tp -96.31 155.44 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.416 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 33.7 t -65.33 113.83 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLY . 53.6 mt -105.98 -22.48 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.459 HG23 ' CD1' ' A' ' 24' ' ' ILE . 3.1 p -48.54 86.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 118.32 22.47 3.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -135.37 -177.41 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' A' ' 48' ' ' ARG . . . -94.84 65.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.401 ' CE1' ' HZ ' ' A' ' 36' ' ' PHE . 26.7 p90 -67.11 158.67 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.65 -178.67 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.564 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.8 p -130.35 100.07 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -76.72 168.24 20.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -33.36 -68.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.28 25.82 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 6.5 m-20 -154.8 164.77 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.417 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 pt -106.02 160.24 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 14.7 mt -152.18 172.17 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.78 157.36 34.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.06 -39.2 33.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.81 -37.02 82.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -86.29 -58.08 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -49.55 -50.69 29.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' GLY . 10.7 ptmm? -36.74 -35.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -59.2 -47.22 86.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' GLY . 64.0 mt -50.3 114.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 p -87.27 -51.62 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.7 153.86 9.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.55 29.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p -65.97 127.66 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 p -39.95 -45.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.471 -179.991 . . . . . . . . 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 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -130.82 148.06 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -168.61 116.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.06 -176.81 18.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -97.86 94.85 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -161.5 139.64 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.36 -155.74 17.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.18 119.2 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.0 47.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.99 -67.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 28.2 p -91.26 27.08 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' CYS . 44.5 p 36.18 52.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -142.23 151.51 58.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.18 68.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.432 HG21 ' CG ' ' A' ' 23' ' ' TYR . 53.1 mt -108.49 -57.45 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t 48.06 42.97 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.87 41.93 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' GLY . 5.3 mp -38.75 114.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' LEU . . . 34.37 51.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . . . -145.8 -107.88 0.55 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 22' ' ' LYS . 15.7 m -35.51 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.5 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 59.9 mttt -84.39 25.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CG ' HG21 ' A' ' 15' ' ' ILE . 24.2 p90 -53.01 156.55 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.505 HG13 ' CG ' ' A' ' 36' ' ' PHE . 10.5 mm -87.24 128.36 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 p -123.34 124.99 44.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CE2' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -116.1 174.5 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PHE . 14.4 mt-10 -34.59 -53.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -130.58 -44.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -79.61 163.92 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 20.5 mt-30 -151.21 170.44 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 24.7 m-90 -161.41 178.89 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -101.82 159.19 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 28.7 m120 -52.92 -20.21 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t0 -108.22 -53.19 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -52.29 -39.48 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.0 t80 -56.87 104.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 81.7 m-20 -155.7 150.94 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.1 t -45.2 166.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -106.99 -5.23 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -111.66 -42.26 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.72 -1.08 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 m 46.96 42.53 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 43' ' ' LEU . 3.2 tt -82.96 152.89 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 t -56.65 109.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 37' ' ' ASN . 62.8 mt -99.85 -21.23 15.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -57.15 108.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.95 18.15 32.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -127.08 -176.93 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.99 56.1 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 55.9 p90 -54.81 152.67 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 60' ' ' PRO . 3.9 mp -101.26 -175.93 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.549 HG21 ' CE2' ' A' ' 26' ' ' PHE . 16.9 p -128.19 110.07 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -86.56 165.38 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' GLU . 80.1 mtt180 -32.96 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.04 29.72 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 60.6 m-20 -161.05 170.2 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.1 pt -109.52 161.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.0 mt -154.43 168.66 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 26.2 p -96.35 158.07 34.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.451 ' HA ' ' CD1' ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.98 -30.25 13.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.12 -53.78 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.94 -46.11 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -68.02 -31.41 75.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 63' ' ' GLY . 14.0 tttm -29.74 -55.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -40.8 -50.36 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLY . 70.7 mt -49.06 113.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 p -103.41 41.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.92 174.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.56 7.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 m -66.13 121.51 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.1 p -71.4 -44.43 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.484 -179.971 . . . . . . . . 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 -0.258 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -39.48 153.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -87.27 -24.68 24.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.34 110.29 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -67.32 126.94 30.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -65.01 152.12 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.68 -104.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 t -76.48 99.33 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.364 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.44 10.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -81.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 28.7 p -87.01 27.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 70.5 p 33.76 54.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -135.91 153.92 77.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.04 66.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG22 ' CG ' ' A' ' 23' ' ' TYR . 11.6 mt -122.27 163.36 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ILE . 4.2 p -34.01 142.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -35.3 -80.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.51 -66.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.69 150.87 18.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 147.86 -83.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 22' ' ' LYS . 28.8 m -67.79 144.97 55.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 111.148 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 21.3 mttm -78.78 38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CG ' HG22 ' A' ' 15' ' ' ILE . 40.1 p90 -67.57 166.41 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.2 mm -96.27 139.99 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 t -132.06 132.54 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 27' ' ' GLU . 29.6 t80 -119.58 174.42 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 26' ' ' PHE . 77.1 mm-40 -32.11 -50.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.76 167.35 20.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 26.0 mt-30 -149.06 174.6 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.8 m-90 -158.97 -174.99 5.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -112.04 161.86 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 19.0 m120 -50.83 -29.57 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.43 -55.54 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -46.17 -41.17 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.6 t80 -58.16 88.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -145.01 151.24 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.3 t -45.79 169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -108.13 -13.94 14.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -103.28 -45.6 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -111.98 -6.7 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.6 p 51.36 41.87 28.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 tp -86.0 149.87 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -58.09 110.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.0 mt -93.93 -33.37 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 p -38.7 112.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 31.92 15.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -141.08 173.81 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.17 57.63 4.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -59.3 153.46 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 mp -101.11 -175.86 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.461 HG23 ' CZ ' ' A' ' 26' ' ' PHE . 22.0 p -132.5 99.79 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tp10 -79.21 169.42 18.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' GLU . 79.0 mmt-85 -34.98 -70.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.9 25.73 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.7 m-20 -154.88 171.14 20.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.432 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.2 pt -114.13 159.02 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.432 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.68 162.36 39.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.5 p -95.22 156.77 37.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.668 0.746 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 65.1 Cg_exo -48.0 -28.06 9.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -72.42 -41.16 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.9 m -83.4 -37.63 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.64 -41.0 90.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 60' ' ' PRO . 14.9 ptpt -55.82 -38.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -55.88 -36.7 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -61.39 117.13 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.9 m 53.26 46.36 26.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.51 -119.92 2.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -0.61 7.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 144.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 -56.69 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.486 -179.959 . . . . . . . . 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 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.18 164.92 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -101.89 90.09 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.96 -128.79 4.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -133.33 171.88 13.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -97.37 133.71 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 -65.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -108.16 97.12 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 31' ' ' TRP . . . -39.86 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -64.02 -84.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 23.2 p -84.52 23.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' CYS . 71.2 p 34.77 46.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -125.69 154.53 73.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.67 8.36 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' SER . 73.6 mt -80.82 152.05 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' ILE . 1.9 m -34.92 127.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.21 -78.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.7 88.72 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.15 171.69 43.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.57 68.39 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -89.0 158.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.15 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -98.02 70.49 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -108.81 174.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.4 mm -102.92 132.83 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.62 137.24 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 52' ' ' THR . 63.6 t80 -123.76 169.49 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.9 mm-40 -30.27 -56.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -125.93 -44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -81.46 177.63 8.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -158.55 156.8 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.442 ' CE2' ' HB2' ' A' ' 9' ' ' ALA . 25.3 m-90 -137.53 -175.04 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.43 162.52 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.49 -25.33 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 13.8 t70 -104.64 -51.46 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.09 -43.89 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -52.68 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 79.3 m-20 -152.84 150.24 29.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.6 t -48.65 164.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -108.02 -4.7 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -107.29 -52.55 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.69 -15.47 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t 63.57 49.07 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 44' ' ' SER . 13.1 tp -99.11 150.97 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.5 t -57.31 114.27 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 59' ' ' CYS . 94.7 mt -96.21 -30.13 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.4 p -41.56 110.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.03 29.98 15.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -135.54 178.8 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.32 46.76 2.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -47.21 152.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mp -103.38 -175.89 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.571 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 56.3 p -128.74 105.33 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.1 tt0 -82.08 165.84 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -33.13 -70.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.78 25.77 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 51.8 m-20 -155.88 169.45 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -109.29 163.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.5 mt -153.04 170.75 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 45' ' ' LEU . 17.4 p -102.9 157.16 34.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' A' ' 64' ' ' LYS . 65.2 Cg_exo -47.97 -37.31 29.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.58 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 59.4 m -84.91 -56.28 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.01 42.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 60' ' ' PRO . 59.5 pttt -55.45 -16.74 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.3 24.96 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' SER . 74.9 mt -107.09 136.53 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' ILE . 4.1 t -33.66 -44.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.4 123.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.4 27.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.7 m -141.6 176.55 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 117.62 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.508 179.994 . . . . . . . . 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 1.451 -0.305 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -148.31 158.42 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -107.52 163.31 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.29 -127.58 5.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -143.44 142.87 31.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.387 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -66.46 167.65 10.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 -94.95 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.79 101.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' HB2' ' NE1' ' A' ' 31' ' ' TRP . . . -48.6 -26.33 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.96 -84.44 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.443 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' ND2' ' A' ' 13' ' ' ASN . 30.2 p -87.41 22.32 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' CYS . 72.5 p 37.54 51.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' ND2' ' SG ' ' A' ' 11' ' ' CYS . 91.7 m-20 -120.9 154.73 57.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 134.74 28.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.538 HG23 ' CD2' ' A' ' 23' ' ' TYR . 41.9 mt -105.66 -44.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' ILE . 54.5 p -34.75 111.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.81 -144.87 6.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -129.63 129.89 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.64 59.99 6.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.554 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.4 172.75 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.9 m -164.14 158.65 19.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 20.8 mtmm -90.6 71.68 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' CD2' HG23 ' A' ' 15' ' ' ILE . 7.4 p90 -131.05 165.6 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mm -92.57 124.39 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -121.97 121.28 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -111.7 176.31 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PHE . 6.2 mm-40 -35.62 -53.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -130.67 -44.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' NH2' ' HA ' ' A' ' 55' ' ' ASP . 34.6 mtt180 -75.58 162.96 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -149.73 158.24 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.463 ' NE1' ' HB2' ' A' ' 9' ' ' ALA . 27.7 m-90 -151.21 -178.55 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 34' ' ' ASP . 19.9 m170 -106.77 137.93 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m120 -34.46 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 3.7 m-20 -92.9 -57.6 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 87.2 m -47.58 -49.53 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.6 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.8 m-20 -150.78 153.12 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -48.62 165.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -0.97 26.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -117.76 -43.38 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.15 -3.97 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m 55.1 30.07 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.8 tp -72.99 154.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.2 t -64.54 113.61 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 50' ' ' PHE . 59.7 mt -95.5 -31.29 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -44.49 108.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.23 33.63 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -144.64 171.76 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.0 46.01 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CB ' HD21 ' A' ' 45' ' ' LEU . 54.6 p90 -46.13 148.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.9 mp -98.57 -175.71 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.456 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 21.0 p -134.12 99.27 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 54' ' ' ARG . 10.0 tt0 -81.0 165.26 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -30.09 -73.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' HA ' ' NH2' ' A' ' 29' ' ' ARG . 36.6 m-20 -124.25 27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 62.8 m-20 -157.59 169.57 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.435 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 pt -110.77 163.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' CD1' ' OE2' ' A' ' 53' ' ' GLU . 10.0 mt -151.18 159.54 44.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.32 154.79 41.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 65.6 Cg_exo -48.0 -28.76 10.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 64' ' ' LYS . 11.7 t70 -73.39 -36.77 66.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.8 m -86.78 -35.98 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.81 -36.18 66.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -44.46 -29.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -43.53 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.7 mt -53.01 111.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -81.98 43.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.58 149.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -45.39 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.292 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p -55.12 156.67 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -42.9 -55.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.473 -179.99 . . . . . . . . 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 ' 24' ' ' ILE . . . . . 0.516 HD11 HG23 ' A' ' 46' ' ' VAL . 11.3 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -122.23 123.6 41.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 52' ' ' THR . 74.4 t80 -111.51 169.68 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 44.9 mt-10 -33.46 -50.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -131.85 -44.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 27.0 mtt180 -77.26 170.23 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 24.8 mt-30 -154.86 169.84 23.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 28.6 m-90 -162.52 -176.55 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -105.72 165.7 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.12 -16.94 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.1 t70 -111.07 -52.28 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.1 m -52.16 -38.95 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.474 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.0 t80 -57.14 89.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 31.7 m-20 -142.91 150.32 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -43.37 166.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -105.21 -4.21 21.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -113.37 -45.3 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.81 4.32 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m 41.72 43.8 2.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 44' ' ' SER . 18.5 tp -87.33 156.51 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.502 ' H ' HD12 ' A' ' 43' ' ' LEU . 38.6 t -62.33 116.11 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 50' ' ' PHE . 50.5 mt -103.05 -19.22 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.516 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -55.48 113.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.1 27.41 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -135.13 -176.76 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.85 49.83 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.753 ' HB3' HD22 ' A' ' 45' ' ' LEU . 44.0 p90 -48.05 165.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 60' ' ' PRO . 5.1 mp -113.08 -174.92 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 42.3 p -134.45 100.59 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 tp10 -78.18 169.67 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 20.9 mtp180 -35.95 -70.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.17 26.88 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.0 m-20 -157.29 170.23 22.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -109.94 162.86 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.44 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 17.7 mt -154.07 173.96 15.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' CB ' HD21 ' A' ' 45' ' ' LEU . 16.0 p -105.95 158.31 32.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.622 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.5 Cg_exo -48.0 -40.23 33.19 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.365 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -53.93 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.7 m -70.08 -58.06 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.743 HD11 HG23 ' A' ' 46' ' ' VAL . 26.4 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 p -119.84 116.96 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 52' ' ' THR . 34.7 t80 -111.12 175.32 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 26' ' ' PHE . 30.8 mm-40 -30.57 -64.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -123.4 -37.01 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.592 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 69.4 mtm-85 -83.63 168.57 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -156.36 166.79 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 30.7 m-90 -156.0 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -108.49 162.94 13.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' O ' HG11 ' A' ' 46' ' ' VAL . 1.8 m-80 -55.54 -25.07 35.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.5 m-20 -104.05 -50.06 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.6 m -54.33 -45.94 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -51.53 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 72.1 m-20 -146.07 149.99 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 t -44.94 167.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -105.21 -18.43 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -96.06 -60.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -94.77 -15.29 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 t 59.57 54.91 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.7 tp -103.83 151.26 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t -55.82 117.4 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD21 ' HB3' ' A' ' 59' ' ' CYS . 85.8 mt -100.96 -30.73 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.743 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 p -43.28 109.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.41 31.69 9.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -142.35 177.97 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.99 59.36 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 36' ' ' PHE . 46.2 p90 -61.9 150.76 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.526 HD22 ' HA3' ' A' ' 63' ' ' GLY . 1.8 mp -99.09 -175.0 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.489 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.6 p -132.86 99.8 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' ASP . 9.9 tp10 -78.16 169.69 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 53' ' ' GLU . 42.6 mtp180 -33.43 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.58 29.54 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' GLU . 15.7 m-20 -158.25 168.5 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 45' ' ' LEU . 19.1 pt -111.56 156.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.42 169.54 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.622 ' HB3' HD21 ' A' ' 45' ' ' LEU . 21.6 p -99.8 158.6 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 51' ' ' LEU . 66.0 Cg_exo -47.98 -40.0 32.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.09 -41.0 91.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.8 m -83.76 -58.62 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.526 ' HA3' HD22 ' A' ' 51' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 46' ' ' VAL . 11.2 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.9 p -121.48 122.47 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.7 ' CZ ' HG21 ' A' ' 52' ' ' THR . 33.8 t80 -111.61 171.66 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 5.5 mm-40 -33.17 -50.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -132.86 -41.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.578 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 34.7 mtm180 -78.93 168.84 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 63.2 mt-30 -153.65 170.37 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 31.4 m-90 -161.51 -175.03 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -111.21 154.25 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -49.16 -19.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 33.4 t0 -109.37 -52.92 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.8 m -51.54 -40.41 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -55.34 100.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 75.7 m-20 -152.47 148.32 27.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.4 t -42.91 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -107.25 -3.13 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -113.65 -42.13 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.45 -0.68 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 47.74 41.67 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 44' ' ' SER . 11.1 tp -88.62 150.55 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 7.5 t -54.92 120.52 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 50' ' ' PHE . 36.9 mt -105.93 -26.52 11.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG23 HD11 ' A' ' 24' ' ' ILE . 7.5 p -50.9 111.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.89 16.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 9.5 mtp-105 -140.52 175.64 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.17 60.99 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.748 ' HB3' HD22 ' A' ' 45' ' ' LEU . 50.5 p90 -64.22 152.38 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.7 mp -100.35 -175.68 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.7 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.0 p -132.87 99.29 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 tt0 -76.53 165.13 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.3 mtt-85 -32.32 -72.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -123.01 28.22 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 11.3 m-20 -158.04 170.1 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.8 pt -111.59 159.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -150.27 168.7 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HB3' HD21 ' A' ' 45' ' ' LEU . 15.0 p -104.09 157.11 34.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.5 Cg_exo -47.95 -39.55 32.49 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -88.75 -58.36 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.8 mp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.6 p -114.69 121.15 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.754 ' CZ ' HG21 ' A' ' 52' ' ' THR . 27.6 t80 -111.65 173.73 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 67.3 mt-10 -33.19 -53.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -131.49 -44.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 29.6 mtt180 -75.4 166.29 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 49.9 mt-30 -150.24 169.27 21.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.2 m-90 -161.8 -175.98 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.541 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 25.3 m170 -112.28 152.6 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.662 ' HA ' HD11 ' A' ' 24' ' ' ILE . 1.9 t-20 -44.59 -25.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -103.88 -56.77 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.2 m -47.31 -41.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.9 t80 -55.82 97.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -147.17 151.33 36.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.77 166.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -105.38 -3.93 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -115.09 -42.06 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.2 p -119.08 0.99 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m 43.66 48.77 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 44' ' ' SER . 8.2 tp -91.4 149.3 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 43.3 t -56.12 106.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 59' ' ' CYS . 73.8 mt -93.83 -30.76 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 p -41.02 118.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.47 28.87 42.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.3 173.81 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.71 55.32 4.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -57.48 151.42 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.7 mp -97.02 -174.82 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.754 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 33.1 p -134.02 99.12 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.762 ' CD ' HD11 ' A' ' 58' ' ' LEU . 10.2 tt0 -78.05 168.27 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 55.6 mtm180 -34.17 -70.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.49 28.08 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' GLU . 44.2 m-20 -158.11 169.34 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.449 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -111.57 159.75 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.762 HD11 ' CD ' ' A' ' 53' ' ' GLU . 8.9 mt -150.81 165.29 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 45' ' ' LEU . 19.5 p -98.98 156.66 35.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.91 -31.74 16.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.45 -35.83 79.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 96.6 m -89.91 -48.56 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.452 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 33' ' ' ASN . 3.1 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -109.36 119.97 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.478 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.9 t80 -112.09 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 4.4 mm-40 -33.26 -53.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.59 -44.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 55.1 mtt180 -78.34 163.95 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 80.8 mt-30 -146.15 172.16 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 32.1 m-90 -162.62 -175.06 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.59 ' C ' HD13 ' A' ' 24' ' ' ILE . 16.1 m170 -113.37 152.44 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.697 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.0 m-80 -44.09 -29.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.0 t0 -98.4 -56.33 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -48.04 -47.03 33.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.595 ' CD2' HG12 ' A' ' 24' ' ' ILE . 5.2 t80 -51.93 91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 38.6 m-20 -145.59 148.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.52 166.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -107.18 -12.6 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -99.29 -54.2 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 p -102.88 -15.86 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 62.35 54.85 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.2 152.85 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.3 t -56.56 119.91 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 50' ' ' PHE . 36.5 mt -104.89 -28.12 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 3.2 p -44.59 113.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.9 29.91 22.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -138.4 178.23 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.03 47.44 2.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.422 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' HB2' HD13 ' A' ' 45' ' ' LEU . 47.8 p90 -48.36 153.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.2 mp -99.8 -178.91 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.478 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 p -130.86 100.3 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.1 tp10 -77.82 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -34.85 -68.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -126.49 25.55 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 72.4 m-20 -154.66 172.15 18.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.412 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.1 pt -114.93 158.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD12 ' OE1' ' A' ' 53' ' ' GLU . 7.6 mt -148.23 172.56 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.548 ' CB ' HD21 ' A' ' 45' ' ' LEU . 16.0 p -106.51 156.27 37.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.9 Cg_exo -48.0 -39.73 32.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -35.69 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.7 m -90.05 -57.98 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.856 HD11 HG23 ' A' ' 46' ' ' VAL . 37.3 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.831 0.348 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -132.23 135.31 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.8 t80 -126.23 175.45 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' PHE . 43.0 mt-10 -30.83 -56.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -130.77 -40.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 82.2 mtt180 -79.72 171.43 15.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 69.5 mt-30 -154.56 173.39 16.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.513 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 31.7 m-90 -161.44 -174.98 4.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -115.82 144.12 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -40.49 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' HIS . 30.7 t0 -100.11 -53.28 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.4 m -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CB ' HG13 ' A' ' 24' ' ' ILE . 4.4 t80 -45.92 97.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 78.8 m-20 -151.1 147.24 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 58' ' ' LEU . 13.1 t -43.41 166.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -109.99 -10.08 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -101.3 -52.87 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 p -103.67 -17.22 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t 65.04 51.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -103.38 152.84 21.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -58.31 119.85 7.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 59' ' ' CYS . 89.3 mt -103.24 -32.25 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 24' ' ' ILE . 5.5 p -40.89 109.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.47 30.37 10.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -140.06 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.06 50.85 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -52.47 153.16 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.7 mp -102.76 -179.53 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 34.7 p -128.86 99.73 5.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.626 ' CD ' HD11 ' A' ' 58' ' ' LEU . 23.1 tt0 -75.92 166.09 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 25.5 mtm180 -34.01 -68.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.26 26.34 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 8.1 m-20 -155.39 176.67 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.62 157.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD11 ' CD ' ' A' ' 53' ' ' GLU . 8.4 mt -147.86 168.4 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.796 ' HB3' HD21 ' A' ' 45' ' ' LEU . 20.2 p -100.92 156.87 34.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.479 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.4 Cg_exo -47.92 -35.64 25.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.16 -35.54 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.2 m -87.18 -54.49 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.8 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 p -115.66 120.44 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.844 ' CZ ' HG21 ' A' ' 52' ' ' THR . 22.3 t80 -109.84 172.45 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PHE . 51.9 mt-10 -35.08 -55.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.8 -43.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 19.8 mtt180 -79.13 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.552 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 56.2 mt-30 -153.97 172.13 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.9 m-90 -162.94 -175.69 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.542 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 16.4 m170 -113.59 156.35 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.608 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.4 t-20 -44.93 -34.12 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 25.2 m-20 -96.08 -58.39 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -43.97 -44.2 7.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.0 t80 -56.03 102.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 76.7 m-20 -153.53 147.33 25.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 42' ' ' SER . 12.4 t -44.23 169.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -106.78 -15.02 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -102.07 -49.04 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.77 -4.37 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.443 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 2.1 m 48.25 44.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.92 150.65 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -53.36 111.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 59' ' ' CYS . 60.2 mt -97.63 -31.21 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 p -44.61 117.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 29.8 33.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -138.54 177.28 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.35 55.52 3.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.56 ' HB3' HD22 ' A' ' 45' ' ' LEU . 53.2 p90 -58.57 156.81 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 51' ' ' LEU . 2.7 mp -103.28 -174.88 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.844 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 28.7 p -132.96 99.8 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.592 ' OE1' HD11 ' A' ' 58' ' ' LEU . 10.0 tt0 -78.73 164.53 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -32.72 -69.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.62 26.49 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.4 m-20 -156.42 169.54 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.438 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 pt -113.94 159.47 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.592 HD11 ' OE1' ' A' ' 53' ' ' GLU . 7.5 mt -150.07 168.63 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.731 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.8 p -102.07 157.1 34.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.03 -34.84 24.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.75 -36.62 84.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -88.98 -53.7 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.508 HD11 HG23 ' A' ' 46' ' ' VAL . 5.6 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 t -133.57 134.64 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CZ ' HG21 ' A' ' 52' ' ' THR . 20.6 t80 -121.8 175.93 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.3 mm-40 -33.86 -48.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.88 -44.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -78.54 164.44 24.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -153.77 165.57 35.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -154.8 176.91 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -98.57 162.04 13.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.2 -23.12 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.6 t70 -104.84 -50.77 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -53.69 -44.25 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CB ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.88 103.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 83.0 m-20 -154.67 149.06 26.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -44.12 168.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -13.81 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -100.49 -41.3 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 p -116.75 -12.07 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m 56.85 46.42 19.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.5 tp -94.46 155.45 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -56.19 113.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.859 HD21 ' HB3' ' A' ' 59' ' ' CYS . 37.9 mt -101.94 -18.65 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.508 HG23 HD11 ' A' ' 24' ' ' ILE . 2.0 p -57.64 108.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 21.64 26.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -130.19 -179.64 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.53 55.64 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -54.28 150.02 9.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -100.6 -175.98 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.658 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.9 p -129.77 100.21 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.862 ' OE1' HD11 ' A' ' 58' ' ' LEU . 16.2 tt0 -78.27 164.83 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -33.74 -70.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.07 25.91 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 24.4 m-20 -156.73 175.03 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.426 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -115.8 160.81 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.862 HD11 ' OE1' ' A' ' 53' ' ' GLU . 9.8 mt -150.2 169.89 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.859 ' HB3' HD21 ' A' ' 45' ' ' LEU . 15.5 p -104.6 157.07 34.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.95 -40.17 32.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -59.71 -36.05 75.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -89.18 -57.54 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 46' ' ' VAL . 43.4 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 p -119.43 127.4 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 52' ' ' THR . 14.6 t80 -117.69 177.18 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 58.8 mm-40 -32.94 -55.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.83 -43.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -75.69 161.81 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -145.56 151.23 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -142.76 172.86 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -97.78 136.35 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m-20 -33.71 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' HIS . 19.5 t0 -90.3 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -49.69 -51.71 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.83 100.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -154.6 151.01 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 45' ' ' LEU . 16.1 t -45.46 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -106.2 -17.45 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -95.79 -56.96 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.31 -15.08 18.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t 58.85 54.93 4.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 44' ' ' SER . 31.9 tp -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.467 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 41.2 t -59.46 113.97 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 59' ' ' CYS . 67.5 mt -101.0 -30.25 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.817 HG23 HD11 ' A' ' 24' ' ' ILE . 4.0 p -48.28 110.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.28 27.69 17.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -137.54 -176.61 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.5 57.78 2.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -61.35 145.93 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.3 mp -97.84 -177.03 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.479 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 18.4 p -128.06 104.75 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.835 ' CD ' HD11 ' A' ' 58' ' ' LEU . 7.8 tt0 -82.57 167.0 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.0 mtt180 -34.15 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -122.35 28.39 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 m-20 -160.08 171.77 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -112.06 159.29 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD11 ' CD ' ' A' ' 53' ' ' GLU . 9.2 mt -148.56 170.96 16.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.715 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.5 p -104.13 156.38 35.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.58 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.3 Cg_exo -47.97 -38.6 31.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -37.02 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -87.79 -57.13 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.1 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 t -132.59 131.96 42.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 52' ' ' THR . 24.1 t80 -120.5 174.45 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 26' ' ' PHE . 19.1 mm-40 -32.25 -49.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -135.04 -42.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -78.09 165.68 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.528 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 63.9 mt-30 -148.62 173.09 13.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.0 m-90 -162.46 -175.12 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.648 ' C ' HD13 ' A' ' 24' ' ' ILE . 18.4 m170 -117.28 165.85 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.6 m-80 -55.41 -28.51 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.9 t70 -99.57 -50.59 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -54.89 -46.62 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CD2' HG12 ' A' ' 24' ' ' ILE . 4.4 t80 -54.31 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 12.3 m-20 -145.92 147.91 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.8 t -45.34 166.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -3.47 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -114.03 -41.66 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.84 -0.47 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 m 45.98 45.39 12.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -90.47 148.84 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -54.61 111.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 50' ' ' PHE . 59.7 mt -97.98 -26.55 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -45.74 117.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.0 32.41 32.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -138.2 177.3 7.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.16 51.95 3.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 45' ' ' LEU . 52.4 p90 -55.27 158.06 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.1 mp -105.54 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.3 p -129.02 103.8 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.6 tt0 -81.63 163.23 22.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 53' ' ' GLU . 18.7 mmt85 -33.04 -68.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -125.21 25.14 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLU . 63.4 m-20 -155.71 173.56 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.8 pt -116.43 155.86 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -145.92 170.03 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.696 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.9 p -102.93 157.21 34.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.74 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' HD11 ' A' ' 51' ' ' LEU . 66.4 Cg_exo -48.03 -36.21 27.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -63.44 -39.88 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -84.78 -54.21 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 46' ' ' VAL . 26.1 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -118.16 128.21 54.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.0 t80 -119.06 175.68 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 61.8 mt-10 -32.51 -54.4 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -132.88 -43.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -74.76 162.4 28.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 67.5 mt-30 -144.88 168.46 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 27.0 m-90 -161.54 179.76 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -105.99 153.86 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -48.56 -23.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -104.03 -53.54 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 81.5 m -51.07 -43.2 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.3 t80 -51.64 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 66.0 m-20 -146.29 150.77 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.0 t -43.52 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -105.32 -16.57 14.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -96.8 -59.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -95.65 -16.31 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.5 t 61.05 54.57 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 tp -103.06 153.26 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -56.89 115.31 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.727 HD21 ' HB3' ' A' ' 59' ' ' CYS . 83.5 mt -99.51 -27.44 13.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -43.08 113.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 32.22 30.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -136.47 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.27 52.75 3.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.446 ' HB2' HD13 ' A' ' 45' ' ' LEU . 46.6 p90 -57.18 148.38 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -98.0 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.9 p -128.21 101.25 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 4.0 tt0 -79.66 165.63 22.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -31.45 -72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -124.25 27.29 7.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 38.3 m-20 -156.76 165.96 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.438 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -109.18 160.07 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.5 HD11 ' OE2' ' A' ' 53' ' ' GLU . 10.5 mt -151.31 171.76 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.727 ' HB3' HD21 ' A' ' 45' ' ' LEU . 18.0 p -104.03 156.21 36.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.612 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.4 Cg_exo -47.95 -34.07 21.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.5 -40.95 93.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.09 -52.48 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.528 HG13 ' CG ' ' A' ' 36' ' ' PHE . 14.7 mm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.3 p -119.69 124.91 47.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.8 t80 -117.43 178.24 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 20.6 mt-10 -33.76 -56.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.39 -43.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 65.4 mtt180 -76.17 166.26 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-30 -149.43 170.35 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.1 m-90 -160.75 -174.98 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -115.45 160.3 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -50.19 -24.22 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -105.24 -54.02 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.82 -40.27 60.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.7 t80 -59.61 89.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 152.46 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 t -46.4 167.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -105.51 -16.88 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -97.64 -58.09 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.79 -14.37 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 p 58.08 54.05 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.19 148.95 25.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -53.62 119.12 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD21 ' HB3' ' A' ' 59' ' ' CYS . 82.9 mt -101.42 -30.56 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.507 HG23 HD11 ' A' ' 24' ' ' ILE . 2.6 p -39.48 118.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.67 29.62 42.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -136.45 -179.93 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.88 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -57.15 157.49 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.03 -177.63 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.1 p -131.08 98.3 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 54' ' ' ARG . 3.3 tp10 -82.04 165.9 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 53' ' ' GLU . 46.2 mtt180 -31.73 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -123.67 27.94 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 63.3 m-20 -157.38 169.03 25.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.422 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 16.8 pt -114.52 162.72 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 9.8 mt -149.96 169.1 21.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.627 ' HB3' HD21 ' A' ' 45' ' ' LEU . 22.0 p -99.45 157.79 33.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.02 -30.14 13.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -53.97 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.9 m -69.21 -44.18 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 HG23 ' A' ' 46' ' ' VAL . 17.8 mm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.831 0.348 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -119.82 123.63 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.815 ' CZ ' HG21 ' A' ' 52' ' ' THR . 47.7 t80 -114.63 173.14 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 46.5 mm-40 -32.8 -54.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.48 -44.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 21.7 mtt85 -75.76 166.53 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 36.2 mt-30 -150.16 169.69 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.503 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.7 m-90 -161.3 -176.33 5.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -110.38 154.12 23.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.87 -24.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -103.96 -52.73 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -51.87 -44.64 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.31 96.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.0 m-20 -147.39 153.9 40.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' SER . 13.0 t -49.24 169.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -108.98 -10.55 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -105.26 -41.98 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.09 0.05 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 18.9 m 47.56 37.89 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 44' ' ' SER . 23.1 tp -80.79 155.14 26.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.563 ' H ' HD12 ' A' ' 43' ' ' LEU . 43.2 t -61.88 113.45 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 50' ' ' PHE . 40.8 mt -98.73 -32.07 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 HD11 ' A' ' 24' ' ' ILE . 2.6 p -41.8 118.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 31.99 42.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -138.57 172.21 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.43 50.56 4.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 45' ' ' LEU . 51.6 p90 -53.28 157.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.6 mp -106.13 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.815 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 17.0 p -126.11 101.75 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.835 ' OE1' HD11 ' A' ' 58' ' ' LEU . 17.4 tt0 -78.64 162.13 26.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' GLU . 51.1 mtm-85 -32.29 -70.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -122.86 27.76 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 35.1 m-20 -159.45 178.51 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.406 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 18.2 pt -119.18 156.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD11 ' OE1' ' A' ' 53' ' ' GLU . 6.5 mt -146.99 165.37 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.492 ' CB ' HD21 ' A' ' 45' ' ' LEU . 18.3 p -97.73 155.46 37.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.598 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.3 Cg_exo -48.05 -31.77 16.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.83 -38.79 80.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.3 m -85.05 -43.99 13.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.598 HD11 HG23 ' A' ' 46' ' ' VAL . 14.1 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.807 0.336 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 p -120.64 127.26 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CZ ' HG21 ' A' ' 52' ' ' THR . 14.1 t80 -115.43 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.5 mm-40 -34.39 -57.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -128.08 -41.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 8.1 mtp85 -72.93 177.27 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HG3' ' C ' ' A' ' 29' ' ' ARG . 10.7 mt-30 -159.36 163.03 35.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.444 ' CZ2' ' HD3' ' A' ' 29' ' ' ARG . 31.1 m-90 -157.99 -175.83 5.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -110.96 145.04 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -40.68 -32.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 4.6 t70 -93.85 -54.64 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 83.1 m -49.99 -52.28 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -42.26 104.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.9 m-20 -156.72 153.08 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' HA ' HD11 ' A' ' 45' ' ' LEU . 14.0 t -47.42 164.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.95 -7.59 18.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -106.76 -51.14 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.04 -8.39 16.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.1 p 52.8 54.92 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 tp -103.41 150.86 23.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -52.71 109.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 59' ' ' CYS . 58.4 mt -97.19 -20.43 17.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.598 HG23 HD11 ' A' ' 24' ' ' ILE . 1.8 p -55.26 114.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.96 23.46 41.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -130.98 -178.92 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.83 52.86 2.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.29 147.59 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.8 mp -100.48 -175.11 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.656 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 35.3 p -133.32 100.38 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.703 ' OE1' HD11 ' A' ' 58' ' ' LEU . 1.8 tt0 -76.67 166.39 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 91.4 mtt180 -31.55 -70.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.68 27.49 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' GLU . 71.1 m-20 -156.03 163.34 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -106.16 159.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.703 HD11 ' OE1' ' A' ' 53' ' ' GLU . 16.1 mt -154.06 172.05 18.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.833 ' HB3' HD21 ' A' ' 45' ' ' LEU . 18.7 p -102.94 158.75 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.65 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.1 Cg_exo -47.97 -41.32 33.0 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -52.79 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.5 m -73.1 -58.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.526 HD11 HG23 ' A' ' 46' ' ' VAL . 5.3 mm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -130.17 135.5 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 52' ' ' THR . 69.8 t80 -121.45 170.9 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 26' ' ' PHE . 42.6 mt-10 -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -133.41 -40.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.63 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -154.69 169.21 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -157.09 -176.93 6.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -109.97 152.93 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -45.73 -23.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 7.5 m-20 -104.5 -57.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.3 m -47.29 -38.88 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' HZ ' ' CE2' ' A' ' 50' ' ' PHE . 5.2 t80 -57.59 99.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.1 m-20 -153.41 149.94 28.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 42' ' ' SER . 12.7 t -44.37 168.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -106.84 -12.61 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -105.16 -45.07 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 p -112.99 -1.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 2.4 m 45.11 47.03 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 44' ' ' SER . 9.1 tp -92.63 153.95 18.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.465 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 8.6 t -56.87 116.99 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 59' ' ' CYS . 62.7 mt -103.36 -23.01 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG23 HD11 ' A' ' 24' ' ' ILE . 2.5 p -52.99 118.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.59 46.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -134.35 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.56 56.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 45' ' ' LEU . 52.3 p90 -58.56 151.75 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.3 mp -98.44 -176.44 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.588 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 27.9 p -132.69 99.39 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.4 tt0 -76.03 166.19 23.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' GLU . 74.3 mtt180 -33.29 -69.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.16 25.79 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.0 m-20 -154.49 168.66 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.3 pt -111.7 159.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 13.6 mt -152.82 170.98 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.607 ' HB3' HD21 ' A' ' 45' ' ' LEU . 21.4 p -100.85 157.91 32.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.639 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.9 Cg_exo -47.95 -36.4 27.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.78 -54.89 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.87 -55.57 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.739 HD11 HG23 ' A' ' 46' ' ' VAL . 9.4 mm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -122.38 126.36 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.5 t80 -117.04 173.76 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 50.9 mt-10 -33.44 -51.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -133.3 -42.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -80.78 164.93 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.541 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 77.3 mt-30 -148.52 175.27 11.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 30.9 m-90 -162.89 -175.03 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -116.66 153.74 31.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -45.99 -21.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.59 -56.31 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.5 m -50.93 -42.49 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.519 ' CG ' HG13 ' A' ' 24' ' ' ILE . 11.8 t80 -56.26 109.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.65 150.36 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -41.92 163.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ILE . 6.7 tptt -106.39 -2.3 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.86 -43.93 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.4 p -115.65 -0.83 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m 45.82 53.16 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.8 tp -96.31 155.44 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 33.7 t -65.33 113.83 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD22 ' HD3' ' A' ' 48' ' ' ARG . 53.6 mt -105.98 -22.48 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.739 HG23 HD11 ' A' ' 24' ' ' ILE . 3.1 p -48.54 86.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 118.32 22.47 3.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HD3' HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -135.37 -177.41 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 48' ' ' ARG . . . -94.84 65.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.501 ' HB2' HD13 ' A' ' 45' ' ' LEU . 26.7 p90 -67.11 158.67 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -102.65 -178.67 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.739 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.8 p -130.35 100.07 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -76.72 168.24 20.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -33.36 -68.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.28 25.82 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 6.5 m-20 -154.8 164.77 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.431 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 pt -106.02 160.24 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 14.7 mt -152.18 172.17 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.691 ' HB3' HD21 ' A' ' 45' ' ' LEU . 16.4 p -105.78 157.36 34.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.533 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.5 Cg_exo -48.06 -39.2 33.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.81 -37.02 82.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -86.29 -58.08 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 36' ' ' PHE . 10.5 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 p -123.34 124.99 44.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -116.1 174.5 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PHE . 14.4 mt-10 -34.59 -53.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -130.58 -44.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 48.2 mtt180 -79.61 163.92 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 20.5 mt-30 -151.21 170.44 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 24.7 m-90 -161.41 178.89 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -101.82 159.19 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -52.92 -20.21 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t0 -108.22 -53.19 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -52.29 -39.48 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.0 t80 -56.87 104.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 81.7 m-20 -155.7 150.94 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 45' ' ' LEU . 15.1 t -45.2 166.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -106.99 -5.23 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -111.66 -42.26 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.72 -1.08 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 m 46.96 42.53 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 44' ' ' SER . 3.2 tt -82.96 152.89 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' HD23 ' A' ' 43' ' ' LEU . 13.7 t -56.65 109.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 38' ' ' CYS . 62.8 mt -99.85 -21.23 15.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -57.15 108.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.95 18.15 32.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -127.08 -176.93 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.99 56.1 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 55.9 p90 -54.81 152.67 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.952 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.9 mp -101.26 -175.93 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.648 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 16.9 p -128.19 110.07 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -86.56 165.38 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' GLU . 80.1 mtt180 -32.96 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.04 29.72 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 60.6 m-20 -161.05 170.2 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 6.1 pt -109.52 161.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 25.0 mt -154.43 168.66 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.601 ' HB3' HD21 ' A' ' 45' ' ' LEU . 26.2 p -96.35 158.07 34.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.952 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.98 -30.25 13.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.12 -53.78 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.94 -46.11 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.526 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.2 mm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 t -132.06 132.54 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' A' ' 52' ' ' THR . 29.6 t80 -119.58 174.42 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 26' ' ' PHE . 77.1 mm-40 -32.11 -50.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.76 167.35 20.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 26.0 mt-30 -149.06 174.6 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.8 m-90 -158.97 -174.99 5.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -112.04 161.86 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -50.83 -29.57 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.43 -55.54 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -46.17 -41.17 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.526 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.6 t80 -58.16 88.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -145.01 151.24 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' HB3' ' N ' ' A' ' 42' ' ' SER . 11.3 t -45.79 169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -108.13 -13.94 14.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -103.28 -45.6 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -111.98 -6.7 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.404 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 81.6 p 51.36 41.87 28.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 tp -86.0 149.87 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -58.09 110.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 59' ' ' CYS . 77.0 mt -93.93 -33.37 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 HD11 ' A' ' 24' ' ' ILE . 2.3 p -38.7 112.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 31.92 15.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -141.08 173.81 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.17 57.63 4.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.449 ' HB3' HD22 ' A' ' 45' ' ' LEU . 48.2 p90 -59.3 153.46 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.3 mp -101.11 -175.86 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.686 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.0 p -132.5 99.79 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tp10 -79.21 169.42 18.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' GLU . 79.0 mmt-85 -34.98 -70.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.9 25.73 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.7 m-20 -154.88 171.14 20.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.447 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.2 pt -114.13 159.02 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.68 162.36 39.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.666 ' HB3' HD21 ' A' ' 45' ' ' LEU . 19.5 p -95.22 156.77 37.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.668 0.746 . . . . 0.0 110.897 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -28.06 9.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -72.42 -41.16 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.9 m -83.4 -37.63 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.673 HD11 HG23 ' A' ' 46' ' ' VAL . 12.4 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.62 137.24 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' N ' ' A' ' 27' ' ' GLU . 63.6 t80 -123.76 169.49 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.9 mm-40 -30.27 -56.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -125.93 -44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -81.46 177.63 8.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -158.55 156.8 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.3 m-90 -137.53 -175.04 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.43 162.52 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.49 -25.33 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 13.8 t70 -104.64 -51.46 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.09 -43.89 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CB ' HG13 ' A' ' 24' ' ' ILE . 3.6 t80 -52.68 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 79.3 m-20 -152.84 150.24 29.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 45' ' ' LEU . 15.6 t -48.65 164.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -108.02 -4.7 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HB2' HD22 ' A' ' 58' ' ' LEU . 5.7 ttpt -107.29 -52.55 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.69 -15.47 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t 63.57 49.07 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 44' ' ' SER . 13.1 tp -99.11 150.97 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.5 t -57.31 114.27 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 59' ' ' CYS . 94.7 mt -96.21 -30.13 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.673 HG23 HD11 ' A' ' 24' ' ' ILE . 2.4 p -41.56 110.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.03 29.98 15.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -135.54 178.8 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.32 46.76 2.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -47.21 152.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.7 mp -103.38 -175.89 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.3 p -128.74 105.33 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.1 tt0 -82.08 165.84 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -33.13 -70.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.78 25.77 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 51.8 m-20 -155.88 169.45 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -109.29 163.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' A' ' 40' ' ' LYS . 29.5 mt -153.04 170.75 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.793 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.4 p -102.9 157.16 34.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.644 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.97 -37.31 29.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.58 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 59.4 m -84.91 -56.28 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.702 HD11 HG23 ' A' ' 46' ' ' VAL . 17.5 mm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.833 0.349 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -121.97 121.28 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -111.7 176.31 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PHE . 6.2 mm-40 -35.62 -53.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -130.67 -44.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 55' ' ' ASP . 34.6 mtt180 -75.58 162.96 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -149.73 158.24 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -151.21 -178.55 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 34' ' ' ASP . 19.9 m170 -106.77 137.93 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m120 -34.46 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 3.7 m-20 -92.9 -57.6 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 87.2 m -47.58 -49.53 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.6 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.8 m-20 -150.78 153.12 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -48.62 165.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -0.97 26.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -117.76 -43.38 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.15 -3.97 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m 55.1 30.07 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 44' ' ' SER . 29.8 tp -72.99 154.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.401 ' H ' HD12 ' A' ' 43' ' ' LEU . 45.2 t -64.54 113.61 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 50' ' ' PHE . 59.7 mt -95.5 -31.29 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.702 HG23 HD11 ' A' ' 24' ' ' ILE . 2.8 p -44.49 108.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.23 33.63 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -144.64 171.76 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.0 46.01 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.583 ' HB3' HD22 ' A' ' 45' ' ' LEU . 54.6 p90 -46.13 148.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.9 mp -98.57 -175.71 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.508 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 21.0 p -134.12 99.27 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 1.016 ' OE2' HD11 ' A' ' 58' ' ' LEU . 10.0 tt0 -81.0 165.26 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -30.09 -73.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' HA ' ' NH2' ' A' ' 29' ' ' ARG . 36.6 m-20 -124.25 27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 62.8 m-20 -157.59 169.57 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.448 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 pt -110.77 163.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.016 HD11 ' OE2' ' A' ' 53' ' ' GLU . 10.0 mt -151.18 159.54 44.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.32 154.79 41.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.432 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.6 Cg_exo -48.0 -28.76 10.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.39 -36.77 66.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.8 m -86.78 -35.98 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -135.85 149.08 48.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -93.73 -52.19 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.39 150.36 20.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -98.52 38.14 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -131.73 113.9 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.5 -99.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -87.4 123.19 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -81.98 51.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.38 -65.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.8 p -89.72 25.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 34.8 p 35.6 47.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -144.06 156.72 58.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.2 69.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . 37.8 mt -97.35 145.43 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ILE . 43.7 t -34.01 -60.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.6 54.11 5.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tt -103.35 -58.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.43 65.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.18 70.31 0.75 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -108.88 145.75 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -78.61 54.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -109.38 162.96 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.516 HD11 HG23 ' A' ' 46' ' ' VAL . 11.3 mm -92.71 127.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -122.23 123.6 41.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 52' ' ' THR . 74.4 t80 -111.51 169.68 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 44.9 mt-10 -33.46 -50.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -131.85 -44.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 27.0 mtt180 -77.26 170.23 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 24.8 mt-30 -154.86 169.84 23.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 28.6 m-90 -162.52 -176.55 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -105.72 165.7 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.12 -16.94 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.1 t70 -111.07 -52.28 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.1 m -52.16 -38.95 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.474 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.0 t80 -57.14 89.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 31.7 m-20 -142.91 150.32 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -43.37 166.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -105.21 -4.21 21.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -113.37 -45.3 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.81 4.32 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m 41.72 43.8 2.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 44' ' ' SER . 18.5 tp -87.33 156.51 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.502 ' H ' HD12 ' A' ' 43' ' ' LEU . 38.6 t -62.33 116.11 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 50' ' ' PHE . 50.5 mt -103.05 -19.22 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.516 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -55.48 113.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.1 27.41 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -135.13 -176.76 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.85 49.83 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.753 ' HB3' HD22 ' A' ' 45' ' ' LEU . 44.0 p90 -48.05 165.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 60' ' ' PRO . 5.1 mp -113.08 -174.92 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 42.3 p -134.45 100.59 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 tp10 -78.18 169.67 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 20.9 mtp180 -35.95 -70.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.17 26.88 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.0 m-20 -157.29 170.23 22.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -109.94 162.86 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD13 HD11 ' A' ' 66' ' ' ILE . 17.7 mt -154.07 173.96 15.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' CB ' HD21 ' A' ' 45' ' ' LEU . 16.0 p -105.95 158.31 32.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.622 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.5 Cg_exo -48.0 -40.23 33.19 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.365 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -53.93 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.7 m -70.08 -58.06 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 66' ' ' ILE . . . -47.43 -36.91 11.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -69.5 -38.28 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -112.08 53.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.58 HD11 HD13 ' A' ' 58' ' ' LEU . 9.8 mm -78.34 116.68 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 m -45.16 -42.46 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -169.65 36.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.384 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -61.62 90.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 p -136.77 175.94 9.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.49 -179.953 . . . . . . . . 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 1.451 -0.331 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -124.58 -55.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -122.7 166.78 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.45 -177.41 15.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -70.18 146.7 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -167.02 140.53 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.74 -117.13 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.85 98.58 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.497 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -41.93 -36.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.51 -70.4 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.1 p -96.9 20.26 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 11' ' ' CYS . 67.8 p 32.88 54.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -122.25 153.04 61.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.73 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.833 HG21 ' CD2' ' A' ' 23' ' ' TYR . 94.3 mt -67.88 83.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -155.29 105.03 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -123.04 -154.48 9.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLY . 9.9 mt -35.02 -55.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.06 69.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.41 38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 23' ' ' TYR . 47.5 m -83.77 143.44 29.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.186 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 46.8 mttp -81.42 20.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.833 ' CD2' HG21 ' A' ' 15' ' ' ILE . 33.2 p90 -48.02 149.05 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.743 HD11 HG23 ' A' ' 46' ' ' VAL . 26.4 mm -76.31 123.04 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 p -119.84 116.96 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 52' ' ' THR . 34.7 t80 -111.12 175.32 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 26' ' ' PHE . 30.8 mm-40 -30.57 -64.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -123.4 -37.01 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.592 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 69.4 mtm-85 -83.63 168.57 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -156.36 166.79 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 30.7 m-90 -156.0 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -108.49 162.94 13.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' O ' HG11 ' A' ' 46' ' ' VAL . 1.8 m-80 -55.54 -25.07 35.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.5 m-20 -104.05 -50.06 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.6 m -54.33 -45.94 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -51.53 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 72.1 m-20 -146.07 149.99 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 t -44.94 167.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -105.21 -18.43 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -96.06 -60.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -94.77 -15.29 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 t 59.57 54.91 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.7 tp -103.83 151.26 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t -55.82 117.4 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD21 ' HB3' ' A' ' 59' ' ' CYS . 85.8 mt -100.96 -30.73 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.743 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 p -43.28 109.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.41 31.69 9.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -142.35 177.97 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.99 59.36 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 36' ' ' PHE . 46.2 p90 -61.9 150.76 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.526 HD22 ' HA3' ' A' ' 63' ' ' GLY . 1.8 mp -99.09 -175.0 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.489 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.6 p -132.86 99.8 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' ASP . 9.9 tp10 -78.16 169.69 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 53' ' ' GLU . 42.6 mtp180 -33.43 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.58 29.54 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' GLU . 15.7 m-20 -158.25 168.5 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 45' ' ' LEU . 19.1 pt -111.56 156.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.42 169.54 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.622 ' HB3' HD21 ' A' ' 45' ' ' LEU . 21.6 p -99.8 158.6 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 51' ' ' LEU . 66.0 Cg_exo -47.98 -40.0 32.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.09 -41.0 91.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.8 m -83.76 -58.62 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.526 ' HA3' HD22 ' A' ' 51' ' ' LEU . . . -46.23 -35.14 6.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.68 -30.64 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -111.12 49.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 ' CG1' ' HA2' ' A' ' 63' ' ' GLY . 40.6 mm -87.58 115.73 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t 52.45 43.69 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 141.68 3.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -130.21 150.91 51.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -73.76 -55.51 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.501 -179.962 . . . . . . . . 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 . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.2 m -36.72 149.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -118.08 -45.35 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.07 151.03 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -144.25 139.07 28.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -54.76 164.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.47 -83.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HA ' HD11 ' A' ' 15' ' ' ILE . 1.2 t -91.59 125.67 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . . . -83.1 51.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -149.95 -66.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.16 26.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.2 p 37.67 35.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -131.89 159.97 69.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.632 0.729 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.65 52.64 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 8' ' ' CYS . 70.1 mt -109.5 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 t -174.4 149.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.47 -149.02 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.01 46.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.46 -151.99 23.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.3 171.51 50.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 22' ' ' LYS . 38.9 m -155.33 154.1 31.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 77.9 mttt -90.05 28.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CG ' HG21 ' A' ' 15' ' ' ILE . 28.1 p90 -55.39 151.84 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 46' ' ' VAL . 11.2 mm -80.62 127.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.9 p -121.48 122.47 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.7 ' CZ ' HG21 ' A' ' 52' ' ' THR . 33.8 t80 -111.61 171.66 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 5.5 mm-40 -33.17 -50.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -132.86 -41.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.578 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 34.7 mtm180 -78.93 168.84 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 63.2 mt-30 -153.65 170.37 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 31.4 m-90 -161.51 -175.03 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.6 m170 -111.21 154.25 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 31.1 m120 -49.16 -19.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 33.4 t0 -109.37 -52.92 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.8 m -51.54 -40.41 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -55.34 100.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 75.7 m-20 -152.47 148.32 27.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.4 t -42.91 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -107.25 -3.13 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -113.65 -42.13 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.45 -0.68 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 47.74 41.67 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 44' ' ' SER . 11.1 tp -88.62 150.55 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 7.5 t -54.92 120.52 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 50' ' ' PHE . 36.9 mt -105.93 -26.52 11.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG23 HD11 ' A' ' 24' ' ' ILE . 7.5 p -50.9 111.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.89 16.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 9.5 mtp-105 -140.52 175.64 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.17 60.99 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.748 ' HB3' HD22 ' A' ' 45' ' ' LEU . 50.5 p90 -64.22 152.38 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.7 mp -100.35 -175.68 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.7 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.0 p -132.87 99.29 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 tt0 -76.53 165.13 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.3 mtt-85 -32.32 -72.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -123.01 28.22 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 11.3 m-20 -158.04 170.1 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.8 pt -111.59 159.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -150.27 168.7 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HB3' HD21 ' A' ' 45' ' ' LEU . 15.0 p -104.09 157.11 34.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.5 Cg_exo -47.95 -39.55 32.49 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -88.75 -58.36 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -45.6 -45.18 12.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.8 pttp -33.89 -45.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -38.84 -49.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.7 mt -40.58 120.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.9 p -80.45 42.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.66 -129.07 4.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 139.49 40.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.0 p -43.28 118.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.4 p -106.5 42.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.495 179.966 . . . . . . . . 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 1.451 -0.307 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -149.14 134.57 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -44.32 -49.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.17 -141.19 12.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -132.61 44.36 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -102.3 123.04 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.2 -111.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.34 94.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -38.69 -31.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' THR . 14.8 p -94.59 17.84 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 11' ' ' CYS . 73.0 p 36.6 54.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -123.15 154.31 64.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 104.16 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.613 HG21 ' CD2' ' A' ' 23' ' ' TYR . 93.3 mt -69.96 -51.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' GLY . 12.6 t -39.49 -40.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -35.98 -41.69 0.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD22 ' OG1' ' A' ' 21' ' ' THR . 1.9 tt -100.52 123.95 45.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' GLY . . . -77.79 157.52 45.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . . . 35.47 90.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.524 ' OG1' HD22 ' A' ' 18' ' ' LEU . 96.6 m -137.73 152.9 49.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' N ' HG22 ' A' ' 21' ' ' THR . 52.4 mttm -84.21 31.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CD2' HG21 ' A' ' 15' ' ' ILE . 18.3 p90 -71.48 156.19 39.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.8 mp -86.57 119.32 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.439 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 59.6 p -114.69 121.15 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.754 ' CZ ' HG21 ' A' ' 52' ' ' THR . 27.6 t80 -111.65 173.73 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 67.3 mt-10 -33.19 -53.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -131.49 -44.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 29.6 mtt180 -75.4 166.29 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 49.9 mt-30 -150.24 169.27 21.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.2 m-90 -161.8 -175.98 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.541 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 25.3 m170 -112.28 152.6 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.662 ' HA ' HD11 ' A' ' 24' ' ' ILE . 1.9 t-20 -44.59 -25.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -103.88 -56.77 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.2 m -47.31 -41.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.9 t80 -55.82 97.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -147.17 151.33 36.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.77 166.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -105.38 -3.93 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -115.09 -42.06 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.2 p -119.08 0.99 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m 43.66 48.77 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 44' ' ' SER . 8.2 tp -91.4 149.3 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 43.3 t -56.12 106.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 59' ' ' CYS . 73.8 mt -93.83 -30.76 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 p -41.02 118.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.47 28.87 42.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.3 173.81 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.71 55.32 4.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -57.48 151.42 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.7 mp -97.02 -174.82 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.754 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 33.1 p -134.02 99.12 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.762 ' CD ' HD11 ' A' ' 58' ' ' LEU . 10.2 tt0 -78.05 168.27 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 55.6 mtm180 -34.17 -70.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.49 28.08 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' GLU . 44.2 m-20 -158.11 169.34 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.449 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -111.57 159.75 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.762 HD11 ' CD ' ' A' ' 53' ' ' GLU . 8.9 mt -150.81 165.29 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 45' ' ' LEU . 19.5 p -98.98 156.66 35.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.91 -31.74 16.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.45 -35.83 79.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 96.6 m -89.91 -48.56 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -57.69 -46.24 92.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.452 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . 13.0 ptmm? -37.0 -37.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 66' ' ' ILE . 7.3 m-20 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' GLY . 34.2 mm -32.4 -59.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 96.8 p -105.51 50.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.89 -119.27 2.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.0 Cg_endo -69.82 3.62 2.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.303 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.1 t -36.91 151.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -118.94 166.58 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.547 -179.958 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -117.85 84.89 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -132.95 173.93 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.75 -96.52 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -117.75 160.45 21.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -165.61 166.62 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.23 -148.67 19.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' CA ' HD11 ' A' ' 15' ' ' ILE . 4.3 t -62.01 109.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -55.25 -32.13 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.44 -77.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.3 p -89.11 24.27 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 70.5 p 33.4 52.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -131.98 161.01 65.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.32 37.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG21 ' CG ' ' A' ' 23' ' ' TYR . 63.8 mt -103.21 153.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 15' ' ' ILE . 4.1 t 71.16 43.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.03 -48.21 6.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.8 -47.45 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.75 88.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.47 101.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 22' ' ' LYS . 41.6 m -161.74 154.19 19.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' THR . 37.0 mttp -84.26 22.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.528 ' CG ' HG21 ' A' ' 15' ' ' ILE . 23.0 p90 -46.28 155.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 33' ' ' ASN . 3.1 mp -84.11 113.03 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.423 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 37.8 p -109.36 119.97 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.9 t80 -112.09 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 4.4 mm-40 -33.26 -53.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.59 -44.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 55.1 mtt180 -78.34 163.95 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 80.8 mt-30 -146.15 172.16 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 32.1 m-90 -162.62 -175.06 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.59 ' C ' HD13 ' A' ' 24' ' ' ILE . 16.1 m170 -113.37 152.44 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.697 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.8 m120 -44.09 -29.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.0 t0 -98.4 -56.33 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -48.04 -47.03 33.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.595 ' CD2' HG12 ' A' ' 24' ' ' ILE . 5.2 t80 -51.93 91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 38.6 m-20 -145.59 148.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.52 166.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -107.18 -12.6 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -99.29 -54.2 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 p -102.88 -15.86 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 62.35 54.85 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.2 152.85 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.3 t -56.56 119.91 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 50' ' ' PHE . 36.5 mt -104.89 -28.12 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 3.2 p -44.59 113.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.9 29.91 22.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -138.4 178.23 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.03 47.44 2.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.422 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' HB2' HD13 ' A' ' 45' ' ' LEU . 47.8 p90 -48.36 153.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.2 mp -99.8 -178.91 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.478 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 p -130.86 100.3 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.1 tp10 -77.82 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -34.85 -68.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -126.49 25.55 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 72.4 m-20 -154.66 172.15 18.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.412 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.1 pt -114.93 158.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD12 ' OE1' ' A' ' 53' ' ' GLU . 7.6 mt -148.23 172.56 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.548 ' CB ' HD21 ' A' ' 45' ' ' LEU . 16.0 p -106.51 156.27 37.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.9 Cg_exo -48.0 -39.73 32.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -35.69 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.7 m -90.05 -57.98 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -45.66 -39.55 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.469 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 65' ' ' ASP . 13.6 pttm -35.99 -43.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 11.1 t70 -63.41 -42.44 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' GLY . 36.2 mm -42.52 118.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.5 p -91.57 -44.25 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.83 -143.2 40.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 149.84 67.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.6 m -40.43 -41.05 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p 41.14 42.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.497 -179.991 . . . . . . . . 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 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -43.3 105.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -114.97 165.0 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.85 117.12 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -119.69 -45.87 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -86.02 122.14 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.73 172.67 28.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.435 ' HA ' HD11 ' A' ' 15' ' ' ILE . 8.6 t -61.72 121.42 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . . . -81.42 39.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.81 -70.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -85.94 28.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p 39.08 48.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -141.1 149.12 54.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.12 39.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.714 HG21 ' CD2' ' A' ' 23' ' ' TYR . 44.2 mt -121.83 157.21 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.478 ' N ' HG22 ' A' ' 15' ' ' ILE . 28.8 t -42.07 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -38.15 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -137.11 135.02 37.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.95 -159.3 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.99 2.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 22' ' ' LYS . 22.1 m -88.15 156.14 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.176 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' N ' HG22 ' A' ' 21' ' ' THR . 26.7 mtmt -82.47 69.36 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.714 ' CD2' HG21 ' A' ' 15' ' ' ILE . 16.2 p90 -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.856 HD11 HG23 ' A' ' 46' ' ' VAL . 37.3 mm -104.51 135.52 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -132.23 135.31 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.8 t80 -126.23 175.45 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' PHE . 43.0 mt-10 -30.83 -56.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -130.77 -40.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 82.2 mtt180 -79.72 171.43 15.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 69.5 mt-30 -154.56 173.39 16.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.513 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 31.7 m-90 -161.44 -174.98 4.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -115.82 144.12 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -40.49 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' HIS . 30.7 t0 -100.11 -53.28 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.4 m -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CB ' HG13 ' A' ' 24' ' ' ILE . 4.4 t80 -45.92 97.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 78.8 m-20 -151.1 147.24 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 58' ' ' LEU . 13.1 t -43.41 166.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -109.99 -10.08 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -101.3 -52.87 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 p -103.67 -17.22 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t 65.04 51.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -103.38 152.84 21.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -58.31 119.85 7.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 59' ' ' CYS . 89.3 mt -103.24 -32.25 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 24' ' ' ILE . 5.5 p -40.89 109.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.47 30.37 10.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -140.06 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.06 50.85 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -52.47 153.16 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.7 mp -102.76 -179.53 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 34.7 p -128.86 99.73 5.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.626 ' CD ' HD11 ' A' ' 58' ' ' LEU . 23.1 tt0 -75.92 166.09 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 25.5 mtm180 -34.01 -68.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.26 26.34 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 8.1 m-20 -155.39 176.67 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.62 157.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD11 ' CD ' ' A' ' 53' ' ' GLU . 8.4 mt -147.86 168.4 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.796 ' HB3' HD21 ' A' ' 45' ' ' LEU . 20.2 p -100.92 156.87 34.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.479 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.4 Cg_exo -47.92 -35.64 25.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.16 -35.54 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.2 m -87.18 -54.49 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA2' ' CD1' ' A' ' 66' ' ' ILE . . . -54.07 -42.33 71.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -48.91 -30.97 6.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -87.03 30.91 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.415 ' CD1' ' HA2' ' A' ' 63' ' ' GLY . 40.7 mt -120.23 144.84 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 m 62.56 41.57 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 69' ' ' PRO . . . -103.0 -140.67 11.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 68' ' ' GLY . 53.8 Cg_endo -69.71 83.44 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -139.49 -179.96 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.1 m -75.53 111.73 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 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 -0.273 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -133.21 86.72 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -150.35 137.61 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.98 130.11 2.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -82.11 171.56 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -85.83 157.38 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.13 -120.49 1.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 t -76.2 127.12 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.765 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -86.84 45.27 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.5 -69.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.0 p -85.56 28.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' CYS . 52.3 p 35.36 43.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -139.01 158.41 69.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' SER . 62.8 mt -119.08 151.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ILE . 46.4 t -34.6 -50.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.77 -123.11 6.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.08 -53.86 24.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.05 120.07 4.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 126.07 6.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -154.12 149.62 27.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -83.7 37.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 25' ' ' SER . 9.8 p90 -81.06 159.93 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.8 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -91.5 118.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 35.5 p -115.66 120.44 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.844 ' CZ ' HG21 ' A' ' 52' ' ' THR . 22.3 t80 -109.84 172.45 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PHE . 51.9 mt-10 -35.08 -55.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.8 -43.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 19.8 mtt180 -79.13 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.552 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 56.2 mt-30 -153.97 172.13 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.765 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 29.9 m-90 -162.94 -175.69 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.542 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 16.4 m170 -113.59 156.35 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.608 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.4 t-20 -44.93 -34.12 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 25.2 m-20 -96.08 -58.39 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -43.97 -44.2 7.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.0 t80 -56.03 102.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 76.7 m-20 -153.53 147.33 25.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 42' ' ' SER . 12.4 t -44.23 169.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -106.78 -15.02 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -102.07 -49.04 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.77 -4.37 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.443 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 2.1 m 48.25 44.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.92 150.65 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -53.36 111.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 59' ' ' CYS . 60.2 mt -97.63 -31.21 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 p -44.61 117.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 29.8 33.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -138.54 177.28 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.35 55.52 3.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.56 ' HB3' HD22 ' A' ' 45' ' ' LEU . 53.2 p90 -58.57 156.81 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 51' ' ' LEU . 2.7 mp -103.28 -174.88 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.844 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 28.7 p -132.96 99.8 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.592 ' OE1' HD11 ' A' ' 58' ' ' LEU . 10.0 tt0 -78.73 164.53 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -32.72 -69.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.62 26.49 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.4 m-20 -156.42 169.54 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.438 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 pt -113.94 159.47 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.592 HD11 ' OE1' ' A' ' 53' ' ' GLU . 7.5 mt -150.07 168.63 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.731 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.8 p -102.07 157.1 34.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.03 -34.84 24.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.75 -36.62 84.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -88.98 -53.7 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -52.77 -47.36 58.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLY . 13.1 ptmm? -35.14 -40.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -46.72 -49.44 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -42.02 113.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -88.41 46.44 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.76 -130.8 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.75 40.78 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 61.14 41.43 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 p -87.51 42.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.491 -179.994 . . . . . . . . 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 1.45 -0.374 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -51.25 115.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -150.98 159.37 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.24 -147.06 17.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -158.26 128.73 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -118.31 92.91 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.93 -143.34 9.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -98.92 102.96 14.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.658 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -45.78 -22.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.72 -86.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -85.91 18.37 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.0 p 40.25 54.81 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -127.07 157.48 71.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.719 . . . . 0.0 110.861 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HD2' ' ND2' ' A' ' 13' ' ' ASN . 54.2 Cg_endo -69.77 118.28 5.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.672 HG21 ' CD2' ' A' ' 23' ' ' TYR . 55.5 mt -82.81 -47.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -47.47 146.04 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.07 -82.59 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 tp -109.92 -51.03 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.39 134.66 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.08 60.28 5.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -97.65 153.66 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 111.183 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -83.34 67.6 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.672 ' CD2' HG21 ' A' ' 15' ' ' ILE . 13.5 p90 -125.32 172.19 9.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.508 HD11 HG23 ' A' ' 46' ' ' VAL . 5.6 mm -101.1 134.39 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 t -133.57 134.64 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CZ ' HG21 ' A' ' 52' ' ' THR . 20.6 t80 -121.8 175.93 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.3 mm-40 -33.86 -48.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.88 -44.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -78.54 164.44 24.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -153.77 165.57 35.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.658 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 25.0 m-90 -154.8 176.91 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -98.57 162.04 13.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.2 -23.12 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.6 t70 -104.84 -50.77 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -53.69 -44.25 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CB ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.88 103.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 83.0 m-20 -154.67 149.06 26.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -44.12 168.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -13.81 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -100.49 -41.3 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 p -116.75 -12.07 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m 56.85 46.42 19.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.5 tp -94.46 155.45 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -56.19 113.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.859 HD21 ' HB3' ' A' ' 59' ' ' CYS . 37.9 mt -101.94 -18.65 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.508 HG23 HD11 ' A' ' 24' ' ' ILE . 2.0 p -57.64 108.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 21.64 26.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -130.19 -179.64 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.53 55.64 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -54.28 150.02 9.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -100.6 -175.98 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.658 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.9 p -129.77 100.21 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.862 ' OE1' HD11 ' A' ' 58' ' ' LEU . 16.2 tt0 -78.27 164.83 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -33.74 -70.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.07 25.91 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 24.4 m-20 -156.73 175.03 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.426 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -115.8 160.81 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.862 HD11 ' OE1' ' A' ' 53' ' ' GLU . 9.8 mt -150.2 169.89 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.859 ' HB3' HD21 ' A' ' 45' ' ' LEU . 15.5 p -104.6 157.07 34.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.95 -40.17 32.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -59.71 -36.05 75.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -89.18 -57.54 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -45.53 -38.93 7.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -42.24 -23.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.2 m-20 -83.04 23.25 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' GLY . 15.1 mt -133.79 76.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -125.22 -49.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.92 -156.01 15.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.61 31.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.382 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.1 t -170.09 144.07 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 p -92.87 101.15 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.494 179.99 . . . . . . . . 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 -0.32 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -142.66 113.99 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -80.64 46.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.15 74.65 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -168.72 117.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -129.42 97.6 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.07 175.78 41.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -50.41 98.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -42.1 -30.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.27 -81.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.0 p -85.13 23.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' CYS . 71.3 p 35.62 45.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -126.2 154.62 74.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.32 19.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' SER . 61.4 mt -86.14 149.1 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' ILE . 43.1 t -34.24 -62.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.05 43.55 98.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -131.26 37.9 3.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.84 129.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.78 87.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 21' ' ' THR . 18.5 m -126.78 -11.51 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm 63.74 52.14 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -118.41 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 46' ' ' VAL . 43.4 mm -99.0 121.08 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 p -119.43 127.4 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 52' ' ' THR . 14.6 t80 -117.69 177.18 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 58.8 mm-40 -32.94 -55.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.83 -43.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -75.69 161.81 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -145.56 151.23 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.542 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 30.4 m-90 -142.76 172.86 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -97.78 136.35 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m-20 -33.71 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' HIS . 19.5 t0 -90.3 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -49.69 -51.71 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.83 100.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -154.6 151.01 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 45' ' ' LEU . 16.1 t -45.46 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -106.2 -17.45 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -95.79 -56.96 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.31 -15.08 18.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t 58.85 54.93 4.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 44' ' ' SER . 31.9 tp -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.467 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 41.2 t -59.46 113.97 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 59' ' ' CYS . 67.5 mt -101.0 -30.25 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.817 HG23 HD11 ' A' ' 24' ' ' ILE . 4.0 p -48.28 110.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.28 27.69 17.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -137.54 -176.61 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.5 57.78 2.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -61.35 145.93 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.3 mp -97.84 -177.03 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.479 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 18.4 p -128.06 104.75 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.835 ' CD ' HD11 ' A' ' 58' ' ' LEU . 7.8 tt0 -82.57 167.0 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.0 mtt180 -34.15 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -122.35 28.39 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 m-20 -160.08 171.77 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -112.06 159.29 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD11 ' CD ' ' A' ' 53' ' ' GLU . 9.2 mt -148.56 170.96 16.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.715 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.5 p -104.13 156.38 35.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.58 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.3 Cg_exo -47.97 -38.6 31.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -37.02 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -87.79 -57.13 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -47.81 -48.94 23.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 18.1 ptmt -34.47 -44.05 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -46.93 -49.2 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.2 mt -48.28 105.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.7 p -107.37 42.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.41 -176.19 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 84.26 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.389 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.5 p -117.52 89.06 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -118.04 85.78 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.515 -179.969 . . . . . . . . 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 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -53.17 -54.0 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -106.31 94.39 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.68 158.91 28.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.0 p -168.72 110.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 97.2 p -36.23 108.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.45 -151.34 11.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.492 ' HB2' HD11 ' A' ' 15' ' ' ILE . 2.4 t -79.12 98.8 6.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.85 -27.15 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.99 -79.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.2 p -89.57 27.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 63.6 p 33.2 52.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -134.0 154.61 80.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.36 60.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 23' ' ' TYR . 76.0 mt -108.13 -41.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -39.5 114.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.22 -128.08 4.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.73 -51.33 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.38 -126.8 5.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 21' ' ' THR . . . -97.35 -176.09 34.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -175.21 137.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -81.64 11.38 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.617 ' CD2' HG21 ' A' ' 15' ' ' ILE . 9.0 p90 -53.08 167.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.1 mp -97.61 135.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 t -132.59 131.96 42.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 52' ' ' THR . 24.1 t80 -120.5 174.45 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 26' ' ' PHE . 19.1 mm-40 -32.25 -49.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -135.04 -42.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -78.09 165.68 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.528 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 63.9 mt-30 -148.62 173.09 13.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.0 m-90 -162.46 -175.12 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.648 ' C ' HD13 ' A' ' 24' ' ' ILE . 18.4 m170 -117.28 165.85 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.493 ' ND2' HG21 ' A' ' 46' ' ' VAL . 2.8 m120 -55.41 -28.51 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.9 t70 -99.57 -50.59 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -54.89 -46.62 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CD2' HG12 ' A' ' 24' ' ' ILE . 4.4 t80 -54.31 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 12.3 m-20 -145.92 147.91 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.8 t -45.34 166.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -3.47 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -114.03 -41.66 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.84 -0.47 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 m 45.98 45.39 12.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -90.47 148.84 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -54.61 111.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 50' ' ' PHE . 59.7 mt -97.98 -26.55 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.493 HG21 ' ND2' ' A' ' 33' ' ' ASN . 1.8 p -45.74 117.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.0 32.41 32.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -138.2 177.3 7.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.16 51.95 3.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 45' ' ' LEU . 52.4 p90 -55.27 158.06 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.1 mp -105.54 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.3 p -129.02 103.8 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.6 tt0 -81.63 163.23 22.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 53' ' ' GLU . 18.7 mmt85 -33.04 -68.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -125.21 25.14 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLU . 63.4 m-20 -155.71 173.56 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.8 pt -116.43 155.86 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -145.92 170.03 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.696 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.9 p -102.93 157.21 34.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.74 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' HD11 ' A' ' 51' ' ' LEU . 66.4 Cg_exo -48.03 -36.21 27.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -63.44 -39.88 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -84.78 -54.21 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -51.63 -53.6 28.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ASP . 12.7 pttp -36.45 -44.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 15.7 t0 -59.41 -43.79 92.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLY . 71.6 mt -62.6 114.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -53.59 -52.72 58.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.97 123.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -18.94 36.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -125.62 -58.62 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 t -65.14 152.58 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.495 -179.998 . . . . . . . . 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 -0.364 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -74.55 101.37 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -131.23 154.55 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 150.13 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -85.22 42.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -135.96 171.5 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 -152.16 19.72 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.37 101.89 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.28 -26.08 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.81 -78.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.3 p -91.56 26.11 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' CYS . 62.4 p 33.77 54.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -132.12 158.59 75.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.37 14.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 ' CD2' ' A' ' 23' ' ' TYR . 96.7 mt -86.12 -54.77 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -50.96 128.15 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.57 -75.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.5 mm? -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.23 -128.23 1.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 21' ' ' THR . . . -61.7 -176.84 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -174.61 136.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.124 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 77.2 mttt -81.43 10.19 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.66 ' CD2' HD13 ' A' ' 15' ' ' ILE . 5.8 p90 -53.47 168.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 46' ' ' VAL . 26.1 mm -96.34 123.19 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -118.16 128.21 54.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.0 t80 -119.06 175.68 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 61.8 mt-10 -32.51 -54.4 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -132.88 -43.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -74.76 162.4 28.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 67.5 mt-30 -144.88 168.46 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 27.0 m-90 -161.54 179.76 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -105.99 153.86 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 20.5 m120 -48.56 -23.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -104.03 -53.54 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 81.5 m -51.07 -43.2 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.3 t80 -51.64 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 66.0 m-20 -146.29 150.77 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.0 t -43.52 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -105.32 -16.57 14.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -96.8 -59.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -95.65 -16.31 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.5 t 61.05 54.57 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 tp -103.06 153.26 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -56.89 115.31 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD21 ' HB3' ' A' ' 59' ' ' CYS . 83.5 mt -99.51 -27.44 13.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -43.08 113.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 32.22 30.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -136.47 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.27 52.75 3.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.446 ' HB2' HD13 ' A' ' 45' ' ' LEU . 46.6 p90 -57.18 148.38 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -98.0 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.9 p -128.21 101.25 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 4.0 tt0 -79.66 165.63 22.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -31.45 -72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -124.25 27.29 7.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 38.3 m-20 -156.76 165.96 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.438 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -109.18 160.07 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.5 HD11 ' OE2' ' A' ' 53' ' ' GLU . 10.5 mt -151.31 171.76 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.727 ' HB3' HD21 ' A' ' 45' ' ' LEU . 18.0 p -104.03 156.21 36.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.612 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.4 Cg_exo -47.95 -34.07 21.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.5 -40.95 93.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.09 -52.48 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.89 -51.44 49.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' PRO . 21.2 ptmt -43.59 -42.68 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.95 -46.48 71.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 78.1 mt -38.1 107.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.3 t -107.12 45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.0 -147.91 23.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.6 31.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.225 . . . . 0.0 112.355 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 t -48.21 -57.54 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -111.73 150.13 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.485 -179.985 . . . . . . . . 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 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -74.75 103.71 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -156.93 131.94 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.38 -41.58 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -67.3 91.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -61.69 -51.86 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.96 -147.33 18.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' HB2' HD11 ' A' ' 15' ' ' ILE . 1.3 t -68.21 101.51 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -81.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' THR . 24.6 p -84.61 25.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 61.3 p 33.94 49.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -133.47 156.09 80.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.2 22.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.53 HG21 ' CG ' ' A' ' 23' ' ' TYR . 55.5 mt -90.91 102.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.3 t -171.58 150.29 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.42 -102.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' GLY . 6.3 tp -52.16 158.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' LEU . . . -33.0 -67.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.09 91.56 0.15 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 m -66.55 150.97 48.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 30.1 mttp -84.44 26.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' CG ' HG21 ' A' ' 15' ' ' ILE . 25.1 p90 -49.41 157.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.528 HG13 ' CG ' ' A' ' 36' ' ' PHE . 14.7 mm -86.91 125.98 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.3 p -119.69 124.91 47.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.8 t80 -117.43 178.24 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 20.6 mt-10 -33.76 -56.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.39 -43.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 65.4 mtt180 -76.17 166.26 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-30 -149.43 170.35 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.1 m-90 -160.75 -174.98 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 15' ' ' ILE . 18.5 m170 -115.45 160.3 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 1.7 m-80 -50.19 -24.22 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -105.24 -54.02 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.82 -40.27 60.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.7 t80 -59.61 89.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 152.46 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 t -46.4 167.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -105.51 -16.88 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -97.64 -58.09 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.79 -14.37 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 p 58.08 54.05 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.19 148.95 25.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -53.62 119.12 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD21 ' HB3' ' A' ' 59' ' ' CYS . 82.9 mt -101.42 -30.56 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG23 HD11 ' A' ' 24' ' ' ILE . 2.6 p -39.48 118.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.67 29.62 42.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -136.45 -179.93 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.88 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -57.15 157.49 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.03 -177.63 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.1 p -131.08 98.3 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 54' ' ' ARG . 3.3 tp10 -82.04 165.9 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 53' ' ' GLU . 46.2 mtt180 -31.73 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -123.67 27.94 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 63.3 m-20 -157.38 169.03 25.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.422 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 16.8 pt -114.52 162.72 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 9.8 mt -149.96 169.1 21.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.627 ' HB3' HD21 ' A' ' 45' ' ' LEU . 22.0 p -99.45 157.79 33.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.02 -30.14 13.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -53.97 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.9 m -69.21 -44.18 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -67.19 -33.83 84.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.4 tttm -29.75 -66.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -37.5 -48.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 84.4 mt -35.7 121.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.1 p 40.66 49.59 2.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 142.75 4.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 111.99 2.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 71' ' ' SER . 15.8 t 49.2 42.41 21.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 70' ' ' SER . 6.6 t -37.45 -59.69 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.525 -179.954 . . . . . . . . 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 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m 58.95 44.24 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -51.42 110.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.29 116.2 0.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -46.28 119.72 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m -66.5 101.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.0 -152.02 43.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 12' ' ' THR . 11.6 t -55.8 98.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -40.57 -38.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.95 -77.84 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.0 p -90.04 19.37 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' CYS . 72.3 p 34.6 48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.71 153.39 49.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.38 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG21 ' CD2' ' A' ' 23' ' ' TYR . 82.4 mt -70.14 89.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 t -170.9 123.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.92 -88.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.12 91.2 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.02 -132.56 3.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.72 140.61 37.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.7 m -139.12 144.23 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -76.3 48.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CD2' HG21 ' A' ' 15' ' ' ILE . 12.7 p90 -97.48 158.38 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 HG23 ' A' ' 46' ' ' VAL . 17.8 mm -88.19 124.97 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -119.82 123.63 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.815 ' CZ ' HG21 ' A' ' 52' ' ' THR . 47.7 t80 -114.63 173.14 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 46.5 mm-40 -32.8 -54.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.48 -44.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 21.7 mtt85 -75.76 166.53 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 36.2 mt-30 -150.16 169.69 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 28.7 m-90 -161.3 -176.33 5.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.477 ' CE1' HG12 ' A' ' 15' ' ' ILE . 5.2 m-70 -110.38 154.12 23.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.87 -24.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -103.96 -52.73 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -51.87 -44.64 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.31 96.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.0 m-20 -147.39 153.9 40.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' SER . 13.0 t -49.24 169.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -108.98 -10.55 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -105.26 -41.98 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.09 0.05 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 18.9 m 47.56 37.89 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 44' ' ' SER . 23.1 tp -80.79 155.14 26.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.563 ' H ' HD12 ' A' ' 43' ' ' LEU . 43.2 t -61.88 113.45 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 50' ' ' PHE . 40.8 mt -98.73 -32.07 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 HD11 ' A' ' 24' ' ' ILE . 2.6 p -41.8 118.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 31.99 42.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -138.57 172.21 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.43 50.56 4.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 45' ' ' LEU . 51.6 p90 -53.28 157.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.6 mp -106.13 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.815 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 17.0 p -126.11 101.75 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.835 ' OE1' HD11 ' A' ' 58' ' ' LEU . 17.4 tt0 -78.64 162.13 26.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' GLU . 51.1 mtm-85 -32.29 -70.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -122.86 27.76 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 35.1 m-20 -159.45 178.51 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.406 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 18.2 pt -119.18 156.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD11 ' OE1' ' A' ' 53' ' ' GLU . 6.5 mt -146.99 165.37 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.492 ' CB ' HD21 ' A' ' 45' ' ' LEU . 18.3 p -97.73 155.46 37.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.598 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.3 Cg_exo -48.05 -31.77 16.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.83 -38.79 80.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.3 m -85.05 -43.99 13.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -60.34 -38.64 94.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 60' ' ' PRO . 12.0 ptmt -39.81 -33.51 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -84.61 28.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' GLY . 50.9 mt -122.84 81.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -89.3 42.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.0 -165.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.432 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.9 Cg_endo -69.68 -49.79 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 0.0 112.362 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 76.8 p -37.38 135.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -172.12 133.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.503 179.989 . . . . . . . . 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 -0.312 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 m -77.59 99.83 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 t -63.97 122.41 16.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.93 -123.95 25.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m 65.09 47.12 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -109.57 -64.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 -148.0 5.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 99.47 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' CB ' ' HE ' ' A' ' 29' ' ' ARG . . . -50.71 -22.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.18 -80.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 24.6 p -83.49 21.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' CYS . 69.0 p 34.63 54.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.79 158.06 73.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.81 8.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.428 HG12 ' NE2' ' A' ' 32' ' ' HIS . 67.1 mt -76.48 -65.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -168.53 176.6 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.56 -35.27 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 18' ' ' LEU . 3.7 mm? -71.17 -71.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.82 -162.52 29.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.28 93.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -162.68 153.64 17.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 25.0 mttm -83.43 70.15 10.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -131.3 173.95 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.598 HD11 HG23 ' A' ' 46' ' ' VAL . 14.1 mm -102.61 124.61 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 p -120.64 127.26 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CZ ' HG21 ' A' ' 52' ' ' THR . 14.1 t80 -115.43 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.5 mm-40 -34.39 -57.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -128.08 -41.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 8.1 mtp85 -72.93 177.27 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HG3' ' C ' ' A' ' 29' ' ' ARG . 10.7 mt-30 -159.36 163.03 35.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.444 ' CZ2' ' HD3' ' A' ' 29' ' ' ARG . 31.1 m-90 -157.99 -175.83 5.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.428 ' NE2' HG12 ' A' ' 15' ' ' ILE . 16.1 m170 -110.96 145.04 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 22' ' ' LYS . 2.4 m120 -40.68 -32.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 4.6 t70 -93.85 -54.64 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 83.1 m -49.99 -52.28 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -42.26 104.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.9 m-20 -156.72 153.08 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' HA ' HD11 ' A' ' 45' ' ' LEU . 14.0 t -47.42 164.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.95 -7.59 18.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -106.76 -51.14 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.04 -8.39 16.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.1 p 52.8 54.92 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 tp -103.41 150.86 23.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -52.71 109.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 59' ' ' CYS . 58.4 mt -97.19 -20.43 17.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.598 HG23 HD11 ' A' ' 24' ' ' ILE . 1.8 p -55.26 114.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.96 23.46 41.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -130.98 -178.92 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.83 52.86 2.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.29 147.59 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.8 mp -100.48 -175.11 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.656 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 35.3 p -133.32 100.38 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.703 ' OE1' HD11 ' A' ' 58' ' ' LEU . 1.8 tt0 -76.67 166.39 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 91.4 mtt180 -31.55 -70.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.68 27.49 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' GLU . 71.1 m-20 -156.03 163.34 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -106.16 159.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.703 HD11 ' OE1' ' A' ' 53' ' ' GLU . 16.1 mt -154.06 172.05 18.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.833 ' HB3' HD21 ' A' ' 45' ' ' LEU . 18.7 p -102.94 158.75 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.65 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.1 Cg_exo -47.97 -41.32 33.0 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -52.79 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.5 m -73.1 -58.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.03 -56.06 2.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -54.16 -42.44 69.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -64.98 -34.73 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' ASP . 41.4 mm -35.01 119.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -39.06 -56.93 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.87 130.53 1.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 153.42 69.01 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -68.42 168.66 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.6 p -161.79 167.43 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.471 -179.947 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -134.85 169.65 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.383 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -82.59 101.36 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.15 85.72 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -119.89 83.41 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -166.97 146.28 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.03 -148.27 18.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -71.15 103.67 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -57.96 -14.05 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.76 -77.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -85.57 27.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.1 p 37.58 50.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -141.4 160.01 58.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.68 48.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.751 HG21 ' CD2' ' A' ' 23' ' ' TYR . 63.2 mt -116.71 114.97 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -168.28 159.98 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.63 -165.81 38.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.9 tp -96.94 118.37 33.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLY . . . 67.36 166.18 2.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . . . -35.94 106.09 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 21' ' ' THR . 95.5 m -79.03 -10.32 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mttp 62.68 38.02 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.751 ' CD2' HG21 ' A' ' 15' ' ' ILE . 20.0 p90 -91.36 167.3 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.526 HD11 HG23 ' A' ' 46' ' ' VAL . 5.3 mm -99.78 137.02 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -130.17 135.5 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 52' ' ' THR . 69.8 t80 -121.45 170.9 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 26' ' ' PHE . 42.6 mt-10 -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -133.41 -40.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.63 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -154.69 169.21 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.446 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 31.3 m-90 -157.09 -176.93 6.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' NE2' HG12 ' A' ' 15' ' ' ILE . 25.1 m170 -109.97 152.93 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.46 ' ND2' HG21 ' A' ' 46' ' ' VAL . 1.7 t-20 -45.73 -23.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 7.5 m-20 -104.5 -57.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.3 m -47.29 -38.88 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' HZ ' ' CE2' ' A' ' 50' ' ' PHE . 5.2 t80 -57.59 99.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.1 m-20 -153.41 149.94 28.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 42' ' ' SER . 12.7 t -44.37 168.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -106.84 -12.61 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -105.16 -45.07 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 p -112.99 -1.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 2.4 m 45.11 47.03 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 44' ' ' SER . 9.1 tp -92.63 153.95 18.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.465 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 8.6 t -56.87 116.99 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 59' ' ' CYS . 62.7 mt -103.36 -23.01 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG23 HD11 ' A' ' 24' ' ' ILE . 2.5 p -52.99 118.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.59 46.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -134.35 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.56 56.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 45' ' ' LEU . 52.3 p90 -58.56 151.75 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.3 mp -98.44 -176.44 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.588 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 27.9 p -132.69 99.39 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.4 tt0 -76.03 166.19 23.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' GLU . 74.3 mtt180 -33.29 -69.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.16 25.79 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.0 m-20 -154.49 168.66 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.3 pt -111.7 159.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 13.6 mt -152.82 170.98 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.607 ' HB3' HD21 ' A' ' 45' ' ' LEU . 21.4 p -100.85 157.91 32.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.639 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.9 Cg_exo -47.95 -36.4 27.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.78 -54.89 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.87 -55.57 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -53.16 -34.8 47.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 ttpt -30.5 -53.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -46.01 -49.43 16.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 63' ' ' GLY . 67.4 mt -50.79 113.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 t 62.24 40.67 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.65 -128.84 5.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.8 Cg_endo -69.79 90.61 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' PRO . 32.0 p -36.43 124.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -113.03 -58.65 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.464 179.952 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -100.93 97.41 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -101.73 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 -47.69 0.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -119.72 93.57 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 p -123.7 101.14 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.06 -93.78 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.9 119.99 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.97 46.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.42 -68.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.1 p -84.52 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' CYS . 43.4 p 37.26 44.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -144.74 154.55 55.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 173.78 10.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG21 ' CG ' ' A' ' 23' ' ' TYR . 65.7 mt -121.27 -58.41 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ILE . 3.1 m 35.23 54.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 79.03 0.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.42 -51.98 45.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.93 -63.81 2.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.518 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.59 36.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 23' ' ' TYR . 27.4 m -60.54 144.68 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.64 19.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.492 ' CG ' HG21 ' A' ' 15' ' ' ILE . 28.1 p90 -44.43 151.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.739 HD11 HG23 ' A' ' 46' ' ' VAL . 9.4 mm -81.54 129.44 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -122.38 126.36 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.5 t80 -117.04 173.76 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 50.9 mt-10 -33.44 -51.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -133.3 -42.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -80.78 164.93 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.541 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 77.3 mt-30 -148.52 175.27 11.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 30.9 m-90 -162.89 -175.03 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' NE2' HG12 ' A' ' 15' ' ' ILE . 26.9 m80 -116.66 153.74 31.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -45.99 -21.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.59 -56.31 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.5 m -50.93 -42.49 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.519 ' CG ' HG13 ' A' ' 24' ' ' ILE . 11.8 t80 -56.26 109.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -165.65 150.36 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -41.92 163.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ILE . 6.7 tptt -106.39 -2.3 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.86 -43.93 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.4 p -115.65 -0.83 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m 45.82 53.16 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.8 tp -96.31 155.44 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 33.7 t -65.33 113.83 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD22 ' HD3' ' A' ' 48' ' ' ARG . 53.6 mt -105.98 -22.48 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.739 HG23 HD11 ' A' ' 24' ' ' ILE . 3.1 p -48.54 86.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 118.32 22.47 3.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HD3' HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -135.37 -177.41 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 48' ' ' ARG . . . -94.84 65.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.501 ' HB2' HD13 ' A' ' 45' ' ' LEU . 26.7 p90 -67.11 158.67 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -102.65 -178.67 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.739 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.8 p -130.35 100.07 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -76.72 168.24 20.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -33.36 -68.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.28 25.82 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 6.5 m-20 -154.8 164.77 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.431 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 pt -106.02 160.24 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 14.7 mt -152.18 172.17 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.691 ' HB3' HD21 ' A' ' 45' ' ' LEU . 16.4 p -105.78 157.36 34.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.533 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.5 Cg_exo -48.06 -39.2 33.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.81 -37.02 82.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -86.29 -58.08 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -49.55 -50.69 29.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' GLY . 10.7 ptmm? -36.74 -35.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -59.2 -47.22 86.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' GLY . 64.0 mt -50.3 114.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 p -87.27 -51.62 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.7 153.86 9.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.55 29.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p -65.97 127.66 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 p -39.95 -45.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.471 -179.991 . . . . . . . . 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 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -130.82 148.06 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -168.61 116.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.06 -176.81 18.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -97.86 94.85 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -161.5 139.64 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.36 -155.74 17.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.18 119.2 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -81.0 47.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.99 -67.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 28.2 p -91.26 27.08 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' CYS . 44.5 p 36.18 52.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -142.23 151.51 58.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.18 68.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.443 HG21 ' CG ' ' A' ' 23' ' ' TYR . 53.1 mt -108.49 -57.45 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t 48.06 42.97 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.87 41.93 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' GLY . 5.3 mp -38.75 114.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' LEU . . . 34.37 51.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . . . -145.8 -107.88 0.55 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLY . 15.7 m -35.51 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.5 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 59.9 mttt -84.39 25.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CG ' HG21 ' A' ' 15' ' ' ILE . 24.2 p90 -53.01 156.55 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 36' ' ' PHE . 10.5 mm -87.24 128.36 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 p -123.34 124.99 44.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -116.1 174.5 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PHE . 14.4 mt-10 -34.59 -53.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -130.58 -44.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 48.2 mtt180 -79.61 163.92 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 20.5 mt-30 -151.21 170.44 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 24.7 m-90 -161.41 178.89 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.406 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.7 m170 -101.82 159.19 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 28.7 m120 -52.92 -20.21 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t0 -108.22 -53.19 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -52.29 -39.48 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.0 t80 -56.87 104.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 81.7 m-20 -155.7 150.94 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 45' ' ' LEU . 15.1 t -45.2 166.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -106.99 -5.23 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -111.66 -42.26 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.72 -1.08 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 m 46.96 42.53 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 44' ' ' SER . 3.2 tt -82.96 152.89 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' HD23 ' A' ' 43' ' ' LEU . 13.7 t -56.65 109.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 38' ' ' CYS . 62.8 mt -99.85 -21.23 15.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -57.15 108.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.95 18.15 32.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -127.08 -176.93 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.99 56.1 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 55.9 p90 -54.81 152.67 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.952 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.9 mp -101.26 -175.93 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.648 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 16.9 p -128.19 110.07 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -86.56 165.38 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' GLU . 80.1 mtt180 -32.96 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.04 29.72 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 60.6 m-20 -161.05 170.2 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 6.1 pt -109.52 161.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 25.0 mt -154.43 168.66 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.601 ' HB3' HD21 ' A' ' 45' ' ' LEU . 26.2 p -96.35 158.07 34.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.952 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.98 -30.25 13.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.12 -53.78 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.94 -46.11 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -68.02 -31.41 75.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 63' ' ' GLY . 14.0 tttm -29.74 -55.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -40.8 -50.36 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLY . 70.7 mt -49.06 113.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 p -103.41 41.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' H ' HG22 ' A' ' 66' ' ' ILE . . . 57.92 174.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.56 7.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 m -66.13 121.51 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.1 p -71.4 -44.43 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.484 -179.971 . . . . . . . . 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 -0.258 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -39.48 153.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -87.27 -24.68 24.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.34 110.29 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -67.32 126.94 30.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -65.01 152.12 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.68 -104.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' HD11 ' A' ' 15' ' ' ILE . 4.9 t -76.48 99.33 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.364 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.44 10.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -81.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 28.7 p -87.01 27.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 70.5 p 33.76 54.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -135.91 153.92 77.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.04 66.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG21 ' CG ' ' A' ' 23' ' ' TYR . 11.6 mt -122.27 163.36 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' HG22 ' A' ' 15' ' ' ILE . 4.2 p -34.01 142.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -35.3 -80.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.51 -66.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.69 150.87 18.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 147.86 -83.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -67.79 144.97 55.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 111.148 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 21.3 mttm -78.78 38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CG ' HG21 ' A' ' 15' ' ' ILE . 40.1 p90 -67.57 166.41 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.526 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.2 mm -96.27 139.99 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 t -132.06 132.54 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' A' ' 52' ' ' THR . 29.6 t80 -119.58 174.42 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 26' ' ' PHE . 77.1 mm-40 -32.11 -50.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.76 167.35 20.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 26.0 mt-30 -149.06 174.6 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.8 m-90 -158.97 -174.99 5.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -112.04 161.86 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 19.0 m120 -50.83 -29.57 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.43 -55.54 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -46.17 -41.17 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.526 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.6 t80 -58.16 88.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -145.01 151.24 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' HB3' ' N ' ' A' ' 42' ' ' SER . 11.3 t -45.79 169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -108.13 -13.94 14.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -103.28 -45.6 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -111.98 -6.7 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.404 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 81.6 p 51.36 41.87 28.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 tp -86.0 149.87 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -58.09 110.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 59' ' ' CYS . 77.0 mt -93.93 -33.37 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 HD11 ' A' ' 24' ' ' ILE . 2.3 p -38.7 112.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 31.92 15.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -141.08 173.81 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.17 57.63 4.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.449 ' HB3' HD22 ' A' ' 45' ' ' LEU . 48.2 p90 -59.3 153.46 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.3 mp -101.11 -175.86 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.686 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.0 p -132.5 99.79 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tp10 -79.21 169.42 18.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' GLU . 79.0 mmt-85 -34.98 -70.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.9 25.73 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.7 m-20 -154.88 171.14 20.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.447 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.2 pt -114.13 159.02 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.68 162.36 39.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.666 ' HB3' HD21 ' A' ' 45' ' ' LEU . 19.5 p -95.22 156.77 37.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.668 0.746 . . . . 0.0 110.897 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -28.06 9.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.9 m-20 -72.42 -41.16 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.9 m -83.4 -37.63 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.64 -41.0 90.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 14.9 ptpt -55.82 -38.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -55.88 -36.7 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -61.39 117.13 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.9 m 53.26 46.36 26.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.51 -119.92 2.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -0.61 7.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 144.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 -56.69 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.486 -179.959 . . . . . . . . 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 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.18 164.92 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -101.89 90.09 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.96 -128.79 4.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -133.33 171.88 13.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -97.37 133.71 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 -65.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -108.16 97.12 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . . . -39.86 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -64.02 -84.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 23.2 p -84.52 23.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' CYS . 71.2 p 34.77 46.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -125.69 154.53 73.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.67 8.36 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' SER . 73.6 mt -80.82 152.05 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' ILE . 1.9 m -34.92 127.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.21 -78.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -107.7 88.72 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.15 171.69 43.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.57 68.39 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 22' ' ' LYS . 6.9 m -89.0 158.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.15 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 21' ' ' THR . 23.0 mtmm -98.02 70.49 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -108.81 174.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.673 HD11 HG23 ' A' ' 46' ' ' VAL . 12.4 mm -102.92 132.83 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.62 137.24 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' N ' ' A' ' 27' ' ' GLU . 63.6 t80 -123.76 169.49 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.9 mm-40 -30.27 -56.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -125.93 -44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -81.46 177.63 8.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -158.55 156.8 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 9' ' ' ALA . 25.3 m-90 -137.53 -175.04 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.43 162.52 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.49 -25.33 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 13.8 t70 -104.64 -51.46 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.09 -43.89 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CB ' HG13 ' A' ' 24' ' ' ILE . 3.6 t80 -52.68 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 79.3 m-20 -152.84 150.24 29.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 45' ' ' LEU . 15.6 t -48.65 164.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -108.02 -4.7 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HB2' HD22 ' A' ' 58' ' ' LEU . 5.7 ttpt -107.29 -52.55 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.69 -15.47 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t 63.57 49.07 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 44' ' ' SER . 13.1 tp -99.11 150.97 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.5 t -57.31 114.27 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 59' ' ' CYS . 94.7 mt -96.21 -30.13 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.673 HG23 HD11 ' A' ' 24' ' ' ILE . 2.4 p -41.56 110.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.03 29.98 15.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -135.54 178.8 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.32 46.76 2.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -47.21 152.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.7 mp -103.38 -175.89 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.3 p -128.74 105.33 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.1 tt0 -82.08 165.84 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -33.13 -70.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.78 25.77 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 51.8 m-20 -155.88 169.45 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -109.29 163.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' A' ' 40' ' ' LYS . 29.5 mt -153.04 170.75 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.793 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.4 p -102.9 157.16 34.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.644 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.97 -37.31 29.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.58 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 59.4 m -84.91 -56.28 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.01 42.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -55.45 -16.74 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.3 24.96 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 68' ' ' GLY . 74.9 mt -107.09 136.53 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' ILE . 4.1 t -33.66 -44.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 66' ' ' ILE . . . 172.4 123.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.4 27.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.7 m -141.6 176.55 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 117.62 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.508 179.994 . . . . . . . . 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 1.451 -0.305 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -148.31 158.42 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -107.52 163.31 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.29 -127.58 5.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -143.44 142.87 31.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.387 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -66.46 167.65 10.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 -94.95 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.79 101.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.638 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -48.6 -26.33 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.96 -84.44 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.443 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' ND2' ' A' ' 13' ' ' ASN . 30.2 p -87.41 22.32 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' CYS . 72.5 p 37.54 51.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' ND2' ' SG ' ' A' ' 11' ' ' CYS . 91.7 m-20 -120.9 154.73 57.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 134.74 28.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.959 HG21 ' CD2' ' A' ' 23' ' ' TYR . 41.9 mt -105.66 -44.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' ILE . 54.5 p -34.75 111.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.81 -144.87 6.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -129.63 129.89 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.64 59.99 6.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.554 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.4 172.75 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 22' ' ' LYS . 18.9 m -164.14 158.65 19.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 21' ' ' THR . 20.8 mtmm -90.6 71.68 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.959 ' CD2' HG21 ' A' ' 15' ' ' ILE . 7.4 p90 -131.05 165.6 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.702 HD11 HG23 ' A' ' 46' ' ' VAL . 17.5 mm -92.57 124.39 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -121.97 121.28 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -111.7 176.31 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PHE . 6.2 mm-40 -35.62 -53.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -130.67 -44.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 55' ' ' ASP . 34.6 mtt180 -75.58 162.96 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -149.73 158.24 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.638 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 27.7 m-90 -151.21 -178.55 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 34' ' ' ASP . 19.9 m170 -106.77 137.93 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m120 -34.46 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 3.7 m-20 -92.9 -57.6 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 87.2 m -47.58 -49.53 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.6 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.8 m-20 -150.78 153.12 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -48.62 165.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -0.97 26.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -117.76 -43.38 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.15 -3.97 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m 55.1 30.07 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 44' ' ' SER . 29.8 tp -72.99 154.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.401 ' H ' HD12 ' A' ' 43' ' ' LEU . 45.2 t -64.54 113.61 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 50' ' ' PHE . 59.7 mt -95.5 -31.29 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.702 HG23 HD11 ' A' ' 24' ' ' ILE . 2.8 p -44.49 108.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.23 33.63 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -144.64 171.76 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.0 46.01 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.583 ' HB3' HD22 ' A' ' 45' ' ' LEU . 54.6 p90 -46.13 148.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.9 mp -98.57 -175.71 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.508 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 21.0 p -134.12 99.27 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 1.016 ' OE2' HD11 ' A' ' 58' ' ' LEU . 10.0 tt0 -81.0 165.26 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -30.09 -73.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' HA ' ' NH2' ' A' ' 29' ' ' ARG . 36.6 m-20 -124.25 27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 62.8 m-20 -157.59 169.57 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.448 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 pt -110.77 163.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.016 HD11 ' OE2' ' A' ' 53' ' ' GLU . 10.0 mt -151.18 159.54 44.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.32 154.79 41.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.432 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.6 Cg_exo -48.0 -28.76 10.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 64' ' ' LYS . 11.7 t70 -73.39 -36.77 66.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.8 m -86.78 -35.98 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.81 -36.18 66.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -44.46 -29.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -43.53 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.7 mt -53.01 111.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -81.98 43.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.58 149.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -45.39 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.292 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p -55.12 156.67 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -42.9 -55.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.473 -179.99 . . . . . . . . 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 ' 24' ' ' ILE . . . . . 0.516 HD11 HG23 ' A' ' 46' ' ' VAL . 11.3 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -122.23 123.6 41.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 52' ' ' THR . 74.4 t80 -111.51 169.68 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 44.9 mt-10 -33.46 -50.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -131.85 -44.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 27.0 mtt180 -77.26 170.23 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 24.8 mt-30 -154.86 169.84 23.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 28.6 m-90 -162.52 -176.55 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -105.72 165.7 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.12 -16.94 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.1 t70 -111.07 -52.28 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.1 m -52.16 -38.95 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.474 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.0 t80 -57.14 89.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 31.7 m-20 -142.91 150.32 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -43.37 166.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -105.21 -4.21 21.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -113.37 -45.3 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.81 4.32 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m 41.72 43.8 2.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 44' ' ' SER . 18.5 tp -87.33 156.51 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.502 ' H ' HD12 ' A' ' 43' ' ' LEU . 38.6 t -62.33 116.11 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 50' ' ' PHE . 50.5 mt -103.05 -19.22 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.516 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -55.48 113.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.1 27.41 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -135.13 -176.76 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.85 49.83 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.753 ' HB3' HD22 ' A' ' 45' ' ' LEU . 44.0 p90 -48.05 165.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 60' ' ' PRO . 5.1 mp -113.08 -174.92 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 42.3 p -134.45 100.59 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 tp10 -78.18 169.67 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 20.9 mtp180 -35.95 -70.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.17 26.88 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.0 m-20 -157.29 170.23 22.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -109.94 162.86 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.44 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 17.7 mt -154.07 173.96 15.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' CB ' HD21 ' A' ' 45' ' ' LEU . 16.0 p -105.95 158.31 32.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.622 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.5 Cg_exo -48.0 -40.23 33.19 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.365 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -53.93 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.7 m -70.08 -58.06 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.743 HD11 HG23 ' A' ' 46' ' ' VAL . 26.4 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 p -119.84 116.96 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 52' ' ' THR . 34.7 t80 -111.12 175.32 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 26' ' ' PHE . 30.8 mm-40 -30.57 -64.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -123.4 -37.01 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.592 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 69.4 mtm-85 -83.63 168.57 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -156.36 166.79 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 30.7 m-90 -156.0 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -108.49 162.94 13.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' O ' HG11 ' A' ' 46' ' ' VAL . 1.8 m-80 -55.54 -25.07 35.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.5 m-20 -104.05 -50.06 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.6 m -54.33 -45.94 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -51.53 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 72.1 m-20 -146.07 149.99 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 t -44.94 167.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -105.21 -18.43 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -96.06 -60.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -94.77 -15.29 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 t 59.57 54.91 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.7 tp -103.83 151.26 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t -55.82 117.4 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD21 ' HB3' ' A' ' 59' ' ' CYS . 85.8 mt -100.96 -30.73 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.743 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 p -43.28 109.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.41 31.69 9.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -142.35 177.97 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.99 59.36 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 36' ' ' PHE . 46.2 p90 -61.9 150.76 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.526 HD22 ' HA3' ' A' ' 63' ' ' GLY . 1.8 mp -99.09 -175.0 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.489 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.6 p -132.86 99.8 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' ASP . 9.9 tp10 -78.16 169.69 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 53' ' ' GLU . 42.6 mtp180 -33.43 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.58 29.54 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' GLU . 15.7 m-20 -158.25 168.5 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 45' ' ' LEU . 19.1 pt -111.56 156.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.42 169.54 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.622 ' HB3' HD21 ' A' ' 45' ' ' LEU . 21.6 p -99.8 158.6 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 51' ' ' LEU . 66.0 Cg_exo -47.98 -40.0 32.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.09 -41.0 91.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.8 m -83.76 -58.62 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.526 ' HA3' HD22 ' A' ' 51' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 46' ' ' VAL . 11.2 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.9 p -121.48 122.47 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.7 ' CZ ' HG21 ' A' ' 52' ' ' THR . 33.8 t80 -111.61 171.66 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 5.5 mm-40 -33.17 -50.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -132.86 -41.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.578 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 34.7 mtm180 -78.93 168.84 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 63.2 mt-30 -153.65 170.37 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 31.4 m-90 -161.51 -175.03 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -111.21 154.25 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -49.16 -19.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 33.4 t0 -109.37 -52.92 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.8 m -51.54 -40.41 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -55.34 100.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 75.7 m-20 -152.47 148.32 27.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.4 t -42.91 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -107.25 -3.13 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -113.65 -42.13 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.45 -0.68 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 47.74 41.67 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 44' ' ' SER . 11.1 tp -88.62 150.55 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 7.5 t -54.92 120.52 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 50' ' ' PHE . 36.9 mt -105.93 -26.52 11.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG23 HD11 ' A' ' 24' ' ' ILE . 7.5 p -50.9 111.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.89 16.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 9.5 mtp-105 -140.52 175.64 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.17 60.99 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.748 ' HB3' HD22 ' A' ' 45' ' ' LEU . 50.5 p90 -64.22 152.38 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.7 mp -100.35 -175.68 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.7 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.0 p -132.87 99.29 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 tt0 -76.53 165.13 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.3 mtt-85 -32.32 -72.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -123.01 28.22 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 11.3 m-20 -158.04 170.1 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.8 pt -111.59 159.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -150.27 168.7 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HB3' HD21 ' A' ' 45' ' ' LEU . 15.0 p -104.09 157.11 34.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.5 Cg_exo -47.95 -39.55 32.49 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -88.75 -58.36 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.8 mp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.6 p -114.69 121.15 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.754 ' CZ ' HG21 ' A' ' 52' ' ' THR . 27.6 t80 -111.65 173.73 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 67.3 mt-10 -33.19 -53.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -131.49 -44.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 29.6 mtt180 -75.4 166.29 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 49.9 mt-30 -150.24 169.27 21.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.2 m-90 -161.8 -175.98 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.541 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 25.3 m170 -112.28 152.6 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.662 ' HA ' HD11 ' A' ' 24' ' ' ILE . 1.9 t-20 -44.59 -25.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -103.88 -56.77 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.2 m -47.31 -41.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.9 t80 -55.82 97.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -147.17 151.33 36.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.77 166.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -105.38 -3.93 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -115.09 -42.06 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.2 p -119.08 0.99 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m 43.66 48.77 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 44' ' ' SER . 8.2 tp -91.4 149.3 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 43.3 t -56.12 106.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 59' ' ' CYS . 73.8 mt -93.83 -30.76 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 p -41.02 118.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.47 28.87 42.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.3 173.81 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.71 55.32 4.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -57.48 151.42 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.7 mp -97.02 -174.82 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.754 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 33.1 p -134.02 99.12 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.762 ' CD ' HD11 ' A' ' 58' ' ' LEU . 10.2 tt0 -78.05 168.27 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 55.6 mtm180 -34.17 -70.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.49 28.08 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' GLU . 44.2 m-20 -158.11 169.34 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.449 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -111.57 159.75 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.762 HD11 ' CD ' ' A' ' 53' ' ' GLU . 8.9 mt -150.81 165.29 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 45' ' ' LEU . 19.5 p -98.98 156.66 35.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.91 -31.74 16.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.45 -35.83 79.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 96.6 m -89.91 -48.56 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.452 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 33' ' ' ASN . 3.1 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -109.36 119.97 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.478 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.9 t80 -112.09 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 4.4 mm-40 -33.26 -53.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.59 -44.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 55.1 mtt180 -78.34 163.95 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 80.8 mt-30 -146.15 172.16 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 32.1 m-90 -162.62 -175.06 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.59 ' C ' HD13 ' A' ' 24' ' ' ILE . 16.1 m170 -113.37 152.44 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.697 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.0 m-80 -44.09 -29.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.0 t0 -98.4 -56.33 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -48.04 -47.03 33.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.595 ' CD2' HG12 ' A' ' 24' ' ' ILE . 5.2 t80 -51.93 91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 38.6 m-20 -145.59 148.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.52 166.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -107.18 -12.6 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -99.29 -54.2 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 p -102.88 -15.86 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 62.35 54.85 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.2 152.85 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.3 t -56.56 119.91 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 50' ' ' PHE . 36.5 mt -104.89 -28.12 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 3.2 p -44.59 113.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.9 29.91 22.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -138.4 178.23 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.03 47.44 2.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.422 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' HB2' HD13 ' A' ' 45' ' ' LEU . 47.8 p90 -48.36 153.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.2 mp -99.8 -178.91 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.478 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 p -130.86 100.3 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.1 tp10 -77.82 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -34.85 -68.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -126.49 25.55 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 72.4 m-20 -154.66 172.15 18.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.412 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.1 pt -114.93 158.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD12 ' OE1' ' A' ' 53' ' ' GLU . 7.6 mt -148.23 172.56 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.548 ' CB ' HD21 ' A' ' 45' ' ' LEU . 16.0 p -106.51 156.27 37.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.9 Cg_exo -48.0 -39.73 32.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -35.69 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.7 m -90.05 -57.98 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.856 HD11 HG23 ' A' ' 46' ' ' VAL . 37.3 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.831 0.348 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -132.23 135.31 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.8 t80 -126.23 175.45 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' PHE . 43.0 mt-10 -30.83 -56.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -130.77 -40.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 82.2 mtt180 -79.72 171.43 15.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 69.5 mt-30 -154.56 173.39 16.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.513 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 31.7 m-90 -161.44 -174.98 4.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -115.82 144.12 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -40.49 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' HIS . 30.7 t0 -100.11 -53.28 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.4 m -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CB ' HG13 ' A' ' 24' ' ' ILE . 4.4 t80 -45.92 97.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 78.8 m-20 -151.1 147.24 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 58' ' ' LEU . 13.1 t -43.41 166.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -109.99 -10.08 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -101.3 -52.87 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 p -103.67 -17.22 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t 65.04 51.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -103.38 152.84 21.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -58.31 119.85 7.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 59' ' ' CYS . 89.3 mt -103.24 -32.25 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 24' ' ' ILE . 5.5 p -40.89 109.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.47 30.37 10.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -140.06 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.06 50.85 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -52.47 153.16 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.7 mp -102.76 -179.53 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 34.7 p -128.86 99.73 5.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.626 ' CD ' HD11 ' A' ' 58' ' ' LEU . 23.1 tt0 -75.92 166.09 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 25.5 mtm180 -34.01 -68.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.26 26.34 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 8.1 m-20 -155.39 176.67 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.62 157.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD11 ' CD ' ' A' ' 53' ' ' GLU . 8.4 mt -147.86 168.4 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.796 ' HB3' HD21 ' A' ' 45' ' ' LEU . 20.2 p -100.92 156.87 34.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.479 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.4 Cg_exo -47.92 -35.64 25.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.16 -35.54 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.2 m -87.18 -54.49 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.8 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 p -115.66 120.44 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.844 ' CZ ' HG21 ' A' ' 52' ' ' THR . 22.3 t80 -109.84 172.45 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PHE . 51.9 mt-10 -35.08 -55.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.8 -43.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 19.8 mtt180 -79.13 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.552 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 56.2 mt-30 -153.97 172.13 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.9 m-90 -162.94 -175.69 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.542 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 16.4 m170 -113.59 156.35 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.608 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.4 t-20 -44.93 -34.12 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 25.2 m-20 -96.08 -58.39 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -43.97 -44.2 7.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.0 t80 -56.03 102.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 76.7 m-20 -153.53 147.33 25.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 42' ' ' SER . 12.4 t -44.23 169.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -106.78 -15.02 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -102.07 -49.04 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.77 -4.37 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.443 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 2.1 m 48.25 44.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.92 150.65 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -53.36 111.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 59' ' ' CYS . 60.2 mt -97.63 -31.21 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 p -44.61 117.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 29.8 33.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -138.54 177.28 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.35 55.52 3.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.56 ' HB3' HD22 ' A' ' 45' ' ' LEU . 53.2 p90 -58.57 156.81 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 51' ' ' LEU . 2.7 mp -103.28 -174.88 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.844 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 28.7 p -132.96 99.8 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.592 ' OE1' HD11 ' A' ' 58' ' ' LEU . 10.0 tt0 -78.73 164.53 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -32.72 -69.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.62 26.49 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.4 m-20 -156.42 169.54 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.438 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 pt -113.94 159.47 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.592 HD11 ' OE1' ' A' ' 53' ' ' GLU . 7.5 mt -150.07 168.63 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.731 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.8 p -102.07 157.1 34.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.03 -34.84 24.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.75 -36.62 84.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -88.98 -53.7 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.508 HD11 HG23 ' A' ' 46' ' ' VAL . 5.6 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 t -133.57 134.64 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CZ ' HG21 ' A' ' 52' ' ' THR . 20.6 t80 -121.8 175.93 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.3 mm-40 -33.86 -48.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.88 -44.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -78.54 164.44 24.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -153.77 165.57 35.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -154.8 176.91 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -98.57 162.04 13.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.2 -23.12 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.6 t70 -104.84 -50.77 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -53.69 -44.25 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CB ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.88 103.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 83.0 m-20 -154.67 149.06 26.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -44.12 168.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -13.81 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -100.49 -41.3 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 p -116.75 -12.07 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m 56.85 46.42 19.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.5 tp -94.46 155.45 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -56.19 113.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.859 HD21 ' HB3' ' A' ' 59' ' ' CYS . 37.9 mt -101.94 -18.65 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.508 HG23 HD11 ' A' ' 24' ' ' ILE . 2.0 p -57.64 108.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 21.64 26.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -130.19 -179.64 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.53 55.64 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -54.28 150.02 9.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -100.6 -175.98 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.658 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.9 p -129.77 100.21 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.862 ' OE1' HD11 ' A' ' 58' ' ' LEU . 16.2 tt0 -78.27 164.83 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -33.74 -70.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.07 25.91 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 24.4 m-20 -156.73 175.03 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.426 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -115.8 160.81 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.862 HD11 ' OE1' ' A' ' 53' ' ' GLU . 9.8 mt -150.2 169.89 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.859 ' HB3' HD21 ' A' ' 45' ' ' LEU . 15.5 p -104.6 157.07 34.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.95 -40.17 32.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -59.71 -36.05 75.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -89.18 -57.54 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 46' ' ' VAL . 43.4 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 p -119.43 127.4 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 52' ' ' THR . 14.6 t80 -117.69 177.18 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 58.8 mm-40 -32.94 -55.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.83 -43.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -75.69 161.81 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -145.56 151.23 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -142.76 172.86 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -97.78 136.35 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m-20 -33.71 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' HIS . 19.5 t0 -90.3 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -49.69 -51.71 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.83 100.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -154.6 151.01 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 45' ' ' LEU . 16.1 t -45.46 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -106.2 -17.45 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -95.79 -56.96 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.31 -15.08 18.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t 58.85 54.93 4.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 44' ' ' SER . 31.9 tp -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.467 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 41.2 t -59.46 113.97 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 59' ' ' CYS . 67.5 mt -101.0 -30.25 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.817 HG23 HD11 ' A' ' 24' ' ' ILE . 4.0 p -48.28 110.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.28 27.69 17.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -137.54 -176.61 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.5 57.78 2.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -61.35 145.93 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.3 mp -97.84 -177.03 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.479 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 18.4 p -128.06 104.75 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.835 ' CD ' HD11 ' A' ' 58' ' ' LEU . 7.8 tt0 -82.57 167.0 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.0 mtt180 -34.15 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -122.35 28.39 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 m-20 -160.08 171.77 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -112.06 159.29 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD11 ' CD ' ' A' ' 53' ' ' GLU . 9.2 mt -148.56 170.96 16.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.715 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.5 p -104.13 156.38 35.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.58 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.3 Cg_exo -47.97 -38.6 31.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -37.02 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -87.79 -57.13 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.1 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 t -132.59 131.96 42.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 52' ' ' THR . 24.1 t80 -120.5 174.45 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 26' ' ' PHE . 19.1 mm-40 -32.25 -49.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -135.04 -42.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -78.09 165.68 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.528 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 63.9 mt-30 -148.62 173.09 13.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.0 m-90 -162.46 -175.12 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.648 ' C ' HD13 ' A' ' 24' ' ' ILE . 18.4 m170 -117.28 165.85 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.6 m-80 -55.41 -28.51 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.9 t70 -99.57 -50.59 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -54.89 -46.62 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CD2' HG12 ' A' ' 24' ' ' ILE . 4.4 t80 -54.31 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 12.3 m-20 -145.92 147.91 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.8 t -45.34 166.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -3.47 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -114.03 -41.66 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.84 -0.47 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 m 45.98 45.39 12.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -90.47 148.84 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -54.61 111.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 50' ' ' PHE . 59.7 mt -97.98 -26.55 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -45.74 117.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.0 32.41 32.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -138.2 177.3 7.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.16 51.95 3.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 45' ' ' LEU . 52.4 p90 -55.27 158.06 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.1 mp -105.54 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.3 p -129.02 103.8 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.6 tt0 -81.63 163.23 22.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 53' ' ' GLU . 18.7 mmt85 -33.04 -68.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -125.21 25.14 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLU . 63.4 m-20 -155.71 173.56 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.8 pt -116.43 155.86 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -145.92 170.03 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.696 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.9 p -102.93 157.21 34.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.74 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' HD11 ' A' ' 51' ' ' LEU . 66.4 Cg_exo -48.03 -36.21 27.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -63.44 -39.88 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -84.78 -54.21 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 46' ' ' VAL . 26.1 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -118.16 128.21 54.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.0 t80 -119.06 175.68 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 61.8 mt-10 -32.51 -54.4 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -132.88 -43.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -74.76 162.4 28.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 67.5 mt-30 -144.88 168.46 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 27.0 m-90 -161.54 179.76 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -105.99 153.86 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -48.56 -23.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -104.03 -53.54 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 81.5 m -51.07 -43.2 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.3 t80 -51.64 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 66.0 m-20 -146.29 150.77 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.0 t -43.52 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -105.32 -16.57 14.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -96.8 -59.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -95.65 -16.31 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.5 t 61.05 54.57 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 tp -103.06 153.26 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -56.89 115.31 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.727 HD21 ' HB3' ' A' ' 59' ' ' CYS . 83.5 mt -99.51 -27.44 13.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -43.08 113.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 32.22 30.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -136.47 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.27 52.75 3.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.446 ' HB2' HD13 ' A' ' 45' ' ' LEU . 46.6 p90 -57.18 148.38 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -98.0 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.9 p -128.21 101.25 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 4.0 tt0 -79.66 165.63 22.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -31.45 -72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -124.25 27.29 7.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 38.3 m-20 -156.76 165.96 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.438 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -109.18 160.07 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.5 HD11 ' OE2' ' A' ' 53' ' ' GLU . 10.5 mt -151.31 171.76 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.727 ' HB3' HD21 ' A' ' 45' ' ' LEU . 18.0 p -104.03 156.21 36.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.612 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.4 Cg_exo -47.95 -34.07 21.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.5 -40.95 93.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.09 -52.48 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.528 HG13 ' CG ' ' A' ' 36' ' ' PHE . 14.7 mm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.3 p -119.69 124.91 47.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.8 t80 -117.43 178.24 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 20.6 mt-10 -33.76 -56.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.39 -43.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 65.4 mtt180 -76.17 166.26 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-30 -149.43 170.35 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.1 m-90 -160.75 -174.98 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -115.45 160.3 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -50.19 -24.22 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -105.24 -54.02 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.82 -40.27 60.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.7 t80 -59.61 89.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 152.46 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 t -46.4 167.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -105.51 -16.88 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -97.64 -58.09 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.79 -14.37 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 p 58.08 54.05 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.19 148.95 25.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -53.62 119.12 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD21 ' HB3' ' A' ' 59' ' ' CYS . 82.9 mt -101.42 -30.56 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.507 HG23 HD11 ' A' ' 24' ' ' ILE . 2.6 p -39.48 118.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.67 29.62 42.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -136.45 -179.93 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.88 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -57.15 157.49 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.03 -177.63 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.1 p -131.08 98.3 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 54' ' ' ARG . 3.3 tp10 -82.04 165.9 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 53' ' ' GLU . 46.2 mtt180 -31.73 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -123.67 27.94 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 63.3 m-20 -157.38 169.03 25.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.422 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 16.8 pt -114.52 162.72 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 9.8 mt -149.96 169.1 21.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.627 ' HB3' HD21 ' A' ' 45' ' ' LEU . 22.0 p -99.45 157.79 33.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.02 -30.14 13.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -53.97 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.9 m -69.21 -44.18 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 HG23 ' A' ' 46' ' ' VAL . 17.8 mm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.831 0.348 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -119.82 123.63 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.815 ' CZ ' HG21 ' A' ' 52' ' ' THR . 47.7 t80 -114.63 173.14 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 46.5 mm-40 -32.8 -54.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.48 -44.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 21.7 mtt85 -75.76 166.53 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 36.2 mt-30 -150.16 169.69 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.503 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.7 m-90 -161.3 -176.33 5.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -110.38 154.12 23.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.87 -24.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -103.96 -52.73 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -51.87 -44.64 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.31 96.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.0 m-20 -147.39 153.9 40.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' SER . 13.0 t -49.24 169.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -108.98 -10.55 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -105.26 -41.98 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.09 0.05 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 18.9 m 47.56 37.89 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 44' ' ' SER . 23.1 tp -80.79 155.14 26.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.563 ' H ' HD12 ' A' ' 43' ' ' LEU . 43.2 t -61.88 113.45 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 50' ' ' PHE . 40.8 mt -98.73 -32.07 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 HD11 ' A' ' 24' ' ' ILE . 2.6 p -41.8 118.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 31.99 42.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -138.57 172.21 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.43 50.56 4.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 45' ' ' LEU . 51.6 p90 -53.28 157.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.6 mp -106.13 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.815 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 17.0 p -126.11 101.75 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.835 ' OE1' HD11 ' A' ' 58' ' ' LEU . 17.4 tt0 -78.64 162.13 26.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' GLU . 51.1 mtm-85 -32.29 -70.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -122.86 27.76 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 35.1 m-20 -159.45 178.51 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.406 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 18.2 pt -119.18 156.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD11 ' OE1' ' A' ' 53' ' ' GLU . 6.5 mt -146.99 165.37 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.492 ' CB ' HD21 ' A' ' 45' ' ' LEU . 18.3 p -97.73 155.46 37.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.598 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.3 Cg_exo -48.05 -31.77 16.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.83 -38.79 80.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.3 m -85.05 -43.99 13.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.598 HD11 HG23 ' A' ' 46' ' ' VAL . 14.1 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.807 0.336 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 p -120.64 127.26 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CZ ' HG21 ' A' ' 52' ' ' THR . 14.1 t80 -115.43 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.5 mm-40 -34.39 -57.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -128.08 -41.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 8.1 mtp85 -72.93 177.27 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HG3' ' C ' ' A' ' 29' ' ' ARG . 10.7 mt-30 -159.36 163.03 35.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.444 ' CZ2' ' HD3' ' A' ' 29' ' ' ARG . 31.1 m-90 -157.99 -175.83 5.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -110.96 145.04 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -40.68 -32.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 4.6 t70 -93.85 -54.64 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 83.1 m -49.99 -52.28 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -42.26 104.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.9 m-20 -156.72 153.08 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' HA ' HD11 ' A' ' 45' ' ' LEU . 14.0 t -47.42 164.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.95 -7.59 18.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -106.76 -51.14 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.04 -8.39 16.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.1 p 52.8 54.92 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 tp -103.41 150.86 23.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -52.71 109.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 59' ' ' CYS . 58.4 mt -97.19 -20.43 17.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.598 HG23 HD11 ' A' ' 24' ' ' ILE . 1.8 p -55.26 114.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.96 23.46 41.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -130.98 -178.92 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.83 52.86 2.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.29 147.59 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.8 mp -100.48 -175.11 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.656 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 35.3 p -133.32 100.38 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.703 ' OE1' HD11 ' A' ' 58' ' ' LEU . 1.8 tt0 -76.67 166.39 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 91.4 mtt180 -31.55 -70.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.68 27.49 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' GLU . 71.1 m-20 -156.03 163.34 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -106.16 159.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.703 HD11 ' OE1' ' A' ' 53' ' ' GLU . 16.1 mt -154.06 172.05 18.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.833 ' HB3' HD21 ' A' ' 45' ' ' LEU . 18.7 p -102.94 158.75 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.65 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.1 Cg_exo -47.97 -41.32 33.0 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -52.79 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.5 m -73.1 -58.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.526 HD11 HG23 ' A' ' 46' ' ' VAL . 5.3 mm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -130.17 135.5 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 52' ' ' THR . 69.8 t80 -121.45 170.9 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 26' ' ' PHE . 42.6 mt-10 -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -133.41 -40.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.63 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -154.69 169.21 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -157.09 -176.93 6.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -109.97 152.93 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.46 ' ND2' HG21 ' A' ' 46' ' ' VAL . 1.7 t-20 -45.73 -23.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 7.5 m-20 -104.5 -57.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.3 m -47.29 -38.88 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' HZ ' ' CE2' ' A' ' 50' ' ' PHE . 5.2 t80 -57.59 99.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.1 m-20 -153.41 149.94 28.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 42' ' ' SER . 12.7 t -44.37 168.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -106.84 -12.61 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -105.16 -45.07 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 p -112.99 -1.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 2.4 m 45.11 47.03 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 44' ' ' SER . 9.1 tp -92.63 153.95 18.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.465 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 8.6 t -56.87 116.99 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 59' ' ' CYS . 62.7 mt -103.36 -23.01 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG23 HD11 ' A' ' 24' ' ' ILE . 2.5 p -52.99 118.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.59 46.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -134.35 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.56 56.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 45' ' ' LEU . 52.3 p90 -58.56 151.75 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.3 mp -98.44 -176.44 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.588 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 27.9 p -132.69 99.39 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.4 tt0 -76.03 166.19 23.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' GLU . 74.3 mtt180 -33.29 -69.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.16 25.79 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.0 m-20 -154.49 168.66 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.3 pt -111.7 159.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 13.6 mt -152.82 170.98 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.607 ' HB3' HD21 ' A' ' 45' ' ' LEU . 21.4 p -100.85 157.91 32.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.639 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.9 Cg_exo -47.95 -36.4 27.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.78 -54.89 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.87 -55.57 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.739 HD11 HG23 ' A' ' 46' ' ' VAL . 9.4 mm . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.864 0.364 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -122.38 126.36 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.5 t80 -117.04 173.76 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 50.9 mt-10 -33.44 -51.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -133.3 -42.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -80.78 164.93 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.541 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 77.3 mt-30 -148.52 175.27 11.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 30.9 m-90 -162.89 -175.03 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -116.66 153.74 31.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -45.99 -21.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.59 -56.31 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 91.5 m -50.93 -42.49 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.519 ' CG ' HG13 ' A' ' 24' ' ' ILE . 11.8 t80 -56.26 109.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 1.8 p30 -165.65 150.36 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -41.92 163.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ILE . 6.7 tptt -106.39 -2.3 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.86 -43.93 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.4 p -115.65 -0.83 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m 45.82 53.16 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.8 tp -96.31 155.44 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 33.7 t -65.33 113.83 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD22 ' HD3' ' A' ' 48' ' ' ARG . 53.6 mt -105.98 -22.48 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.739 HG23 HD11 ' A' ' 24' ' ' ILE . 3.1 p -48.54 86.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 118.32 22.47 3.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HD3' HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -135.37 -177.41 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 48' ' ' ARG . . . -94.84 65.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.501 ' HB2' HD13 ' A' ' 45' ' ' LEU . 26.7 p90 -67.11 158.67 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -102.65 -178.67 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.739 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.8 p -130.35 100.07 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -76.72 168.24 20.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -33.36 -68.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.28 25.82 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 6.5 m-20 -154.8 164.77 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.431 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 pt -106.02 160.24 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 14.7 mt -152.18 172.17 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.691 ' HB3' HD21 ' A' ' 45' ' ' LEU . 16.4 p -105.78 157.36 34.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.533 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.5 Cg_exo -48.06 -39.2 33.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.81 -37.02 82.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -86.29 -58.08 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 36' ' ' PHE . 10.5 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 p -123.34 124.99 44.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -116.1 174.5 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PHE . 14.4 mt-10 -34.59 -53.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -130.58 -44.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 48.2 mtt180 -79.61 163.92 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 20.5 mt-30 -151.21 170.44 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 24.7 m-90 -161.41 178.89 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -101.82 159.19 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -52.92 -20.21 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t0 -108.22 -53.19 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -52.29 -39.48 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.0 t80 -56.87 104.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 81.7 m-20 -155.7 150.94 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 45' ' ' LEU . 15.1 t -45.2 166.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -106.99 -5.23 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -111.66 -42.26 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.72 -1.08 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 m 46.96 42.53 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 44' ' ' SER . 3.2 tt -82.96 152.89 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' HD23 ' A' ' 43' ' ' LEU . 13.7 t -56.65 109.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 38' ' ' CYS . 62.8 mt -99.85 -21.23 15.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -57.15 108.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.95 18.15 32.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -127.08 -176.93 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.99 56.1 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 55.9 p90 -54.81 152.67 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.952 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.9 mp -101.26 -175.93 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.648 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 16.9 p -128.19 110.07 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -86.56 165.38 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' GLU . 80.1 mtt180 -32.96 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.04 29.72 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 60.6 m-20 -161.05 170.2 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 6.1 pt -109.52 161.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 25.0 mt -154.43 168.66 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.601 ' HB3' HD21 ' A' ' 45' ' ' LEU . 26.2 p -96.35 158.07 34.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.952 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.98 -30.25 13.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.12 -53.78 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.94 -46.11 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.526 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.2 mm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 t -132.06 132.54 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' A' ' 52' ' ' THR . 29.6 t80 -119.58 174.42 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 26' ' ' PHE . 77.1 mm-40 -32.11 -50.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.76 167.35 20.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 26.0 mt-30 -149.06 174.6 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.8 m-90 -158.97 -174.99 5.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -112.04 161.86 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -50.83 -29.57 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.43 -55.54 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -46.17 -41.17 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.526 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.6 t80 -58.16 88.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -145.01 151.24 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' HB3' ' N ' ' A' ' 42' ' ' SER . 11.3 t -45.79 169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -108.13 -13.94 14.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -103.28 -45.6 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -111.98 -6.7 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.404 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 81.6 p 51.36 41.87 28.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 tp -86.0 149.87 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -58.09 110.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 59' ' ' CYS . 77.0 mt -93.93 -33.37 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 HD11 ' A' ' 24' ' ' ILE . 2.3 p -38.7 112.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 31.92 15.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -141.08 173.81 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.17 57.63 4.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.449 ' HB3' HD22 ' A' ' 45' ' ' LEU . 48.2 p90 -59.3 153.46 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.3 mp -101.11 -175.86 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.686 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.0 p -132.5 99.79 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tp10 -79.21 169.42 18.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' GLU . 79.0 mmt-85 -34.98 -70.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.9 25.73 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.7 m-20 -154.88 171.14 20.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.447 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.2 pt -114.13 159.02 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.68 162.36 39.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.666 ' HB3' HD21 ' A' ' 45' ' ' LEU . 19.5 p -95.22 156.77 37.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.668 0.746 . . . . 0.0 110.897 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -28.06 9.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -72.42 -41.16 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.9 m -83.4 -37.63 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.673 HD11 HG23 ' A' ' 46' ' ' VAL . 12.4 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.807 0.337 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.62 137.24 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' N ' ' A' ' 27' ' ' GLU . 63.6 t80 -123.76 169.49 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.9 mm-40 -30.27 -56.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -125.93 -44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -81.46 177.63 8.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -158.55 156.8 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.3 m-90 -137.53 -175.04 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.43 162.52 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.49 -25.33 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 13.8 t70 -104.64 -51.46 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.09 -43.89 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CB ' HG13 ' A' ' 24' ' ' ILE . 3.6 t80 -52.68 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 79.3 m-20 -152.84 150.24 29.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 45' ' ' LEU . 15.6 t -48.65 164.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -108.02 -4.7 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HB2' HD22 ' A' ' 58' ' ' LEU . 5.7 ttpt -107.29 -52.55 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.69 -15.47 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t 63.57 49.07 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 44' ' ' SER . 13.1 tp -99.11 150.97 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.5 t -57.31 114.27 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 59' ' ' CYS . 94.7 mt -96.21 -30.13 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.673 HG23 HD11 ' A' ' 24' ' ' ILE . 2.4 p -41.56 110.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.03 29.98 15.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -135.54 178.8 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.32 46.76 2.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -47.21 152.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.7 mp -103.38 -175.89 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.3 p -128.74 105.33 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.1 tt0 -82.08 165.84 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -33.13 -70.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.78 25.77 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 51.8 m-20 -155.88 169.45 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -109.29 163.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' A' ' 40' ' ' LYS . 29.5 mt -153.04 170.75 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.793 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.4 p -102.9 157.16 34.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.644 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.97 -37.31 29.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.58 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 59.4 m -84.91 -56.28 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.702 HD11 HG23 ' A' ' 46' ' ' VAL . 17.5 mm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.833 0.349 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -121.97 121.28 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -111.7 176.31 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PHE . 6.2 mm-40 -35.62 -53.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -130.67 -44.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 55' ' ' ASP . 34.6 mtt180 -75.58 162.96 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -149.73 158.24 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -151.21 -178.55 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 34' ' ' ASP . 19.9 m170 -106.77 137.93 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m120 -34.46 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 3.7 m-20 -92.9 -57.6 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 87.2 m -47.58 -49.53 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.6 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.8 m-20 -150.78 153.12 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -48.62 165.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -0.97 26.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -117.76 -43.38 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.15 -3.97 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m 55.1 30.07 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 44' ' ' SER . 29.8 tp -72.99 154.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.401 ' H ' HD12 ' A' ' 43' ' ' LEU . 45.2 t -64.54 113.61 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 50' ' ' PHE . 59.7 mt -95.5 -31.29 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.702 HG23 HD11 ' A' ' 24' ' ' ILE . 2.8 p -44.49 108.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.23 33.63 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -144.64 171.76 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.0 46.01 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.583 ' HB3' HD22 ' A' ' 45' ' ' LEU . 54.6 p90 -46.13 148.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.9 mp -98.57 -175.71 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.508 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 21.0 p -134.12 99.27 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 1.016 ' OE2' HD11 ' A' ' 58' ' ' LEU . 10.0 tt0 -81.0 165.26 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -30.09 -73.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' HA ' ' NH2' ' A' ' 29' ' ' ARG . 36.6 m-20 -124.25 27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 62.8 m-20 -157.59 169.57 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.448 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 pt -110.77 163.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.016 HD11 ' OE2' ' A' ' 53' ' ' GLU . 10.0 mt -151.18 159.54 44.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.32 154.79 41.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.432 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.6 Cg_exo -48.0 -28.76 10.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -73.39 -36.77 66.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.8 m -86.78 -35.98 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -135.85 149.08 48.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -93.73 -52.19 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.39 150.36 20.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -98.52 38.14 1.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -131.73 113.9 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.5 -99.0 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.4 t -87.4 123.19 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -81.98 51.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.38 -65.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.8 p -89.72 25.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 34.8 p 35.6 47.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -144.06 156.72 58.21 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.2 69.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' SER . 37.8 mt -97.35 145.43 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' ILE . 43.7 t -34.01 -60.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 43.6 54.11 5.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 tt -103.35 -58.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.43 65.28 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.18 70.31 0.75 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.9 m -108.88 145.75 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -78.61 54.82 1.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -109.38 162.96 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.516 HD11 HG23 ' A' ' 46' ' ' VAL . 11.3 mm -92.71 127.98 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.122 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 p -122.23 123.6 41.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CZ ' HG21 ' A' ' 52' ' ' THR . 74.4 t80 -111.51 169.68 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 44.9 mt-10 -33.46 -50.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -131.85 -44.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 27.0 mtt180 -77.26 170.23 16.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 24.8 mt-30 -154.86 169.84 23.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 28.6 m-90 -162.52 -176.55 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -105.72 165.7 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.12 -16.94 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 6.1 t70 -111.07 -52.28 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.1 m -52.16 -38.95 59.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.474 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.0 t80 -57.14 89.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 31.7 m-20 -142.91 150.32 39.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.4 t -43.37 166.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -105.21 -4.21 21.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -113.37 -45.3 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.0 p -113.81 4.32 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.6 m 41.72 43.8 2.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 44' ' ' SER . 18.5 tp -87.33 156.51 19.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.502 ' H ' HD12 ' A' ' 43' ' ' LEU . 38.6 t -62.33 116.11 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 50' ' ' PHE . 50.5 mt -103.05 -19.22 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.516 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -55.48 113.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.1 27.41 28.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -135.13 -176.76 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.85 49.83 1.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.753 ' HB3' HD22 ' A' ' 45' ' ' LEU . 44.0 p90 -48.05 165.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 60' ' ' PRO . 5.1 mp -113.08 -174.92 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 42.3 p -134.45 100.59 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 tp10 -78.18 169.67 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 20.9 mtp180 -35.95 -70.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.17 26.88 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.0 m-20 -157.29 170.23 22.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -109.94 162.86 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD13 HD11 ' A' ' 66' ' ' ILE . 17.7 mt -154.07 173.96 15.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' CB ' HD21 ' A' ' 45' ' ' LEU . 16.0 p -105.95 158.31 32.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.622 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.5 Cg_exo -48.0 -40.23 33.19 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.631 2.221 . . . . 0.0 112.365 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.27 -53.93 52.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 93.7 m -70.08 -58.06 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 66' ' ' ILE . . . -47.43 -36.91 11.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -69.5 -38.28 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -112.08 53.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.58 HD11 HD13 ' A' ' 58' ' ' LEU . 9.8 mm -78.34 116.68 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 m -45.16 -42.46 9.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -169.65 36.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.384 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -61.62 90.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.3 p -136.77 175.94 9.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.49 -179.953 . . . . . . . . 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 1.451 -0.331 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -124.58 -55.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -122.7 166.78 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.45 -177.41 15.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t -70.18 146.7 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -167.02 140.53 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.74 -117.13 0.48 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . 1.7 t -81.85 98.58 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.497 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -41.93 -36.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.51 -70.4 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.1 p -96.9 20.26 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 11' ' ' CYS . 67.8 p 32.88 54.99 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -122.25 153.04 61.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.923 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.73 1.21 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.833 HG21 ' CD2' ' A' ' 23' ' ' TYR . 94.3 mt -67.88 83.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -155.29 105.03 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' LEU . . . -123.04 -154.48 9.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLY . 9.9 mt -35.02 -55.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.06 69.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.41 38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 23' ' ' TYR . 47.5 m -83.77 143.44 29.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 111.186 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 46.8 mttp -81.42 20.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.833 ' CD2' HG21 ' A' ' 15' ' ' ILE . 33.2 p90 -48.02 149.05 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.743 HD11 HG23 ' A' ' 46' ' ' VAL . 26.4 mm -76.31 123.04 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 p -119.84 116.96 26.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 52' ' ' THR . 34.7 t80 -111.12 175.32 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 26' ' ' PHE . 30.8 mm-40 -30.57 -64.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -123.4 -37.01 2.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.592 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 69.4 mtm-85 -83.63 168.57 16.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -156.36 166.79 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 30.7 m-90 -156.0 -175.58 5.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.478 ' CE1' HD21 ' A' ' 13' ' ' ASN . 20.3 m170 -108.49 162.94 13.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' O ' HG11 ' A' ' 46' ' ' VAL . 1.8 m-80 -55.54 -25.07 35.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.5 m-20 -104.05 -50.06 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.6 m -54.33 -45.94 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.52 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -51.53 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 72.1 m-20 -146.07 149.99 35.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.2 t -44.94 167.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -105.21 -18.43 14.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -96.06 -60.1 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -94.77 -15.29 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 t 59.57 54.91 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.7 tp -103.83 151.26 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.4 t -55.82 117.4 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD21 ' HB3' ' A' ' 59' ' ' CYS . 85.8 mt -100.96 -30.73 11.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.743 HG23 HD11 ' A' ' 24' ' ' ILE . 3.0 p -43.28 109.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.41 31.69 9.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -142.35 177.97 7.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.99 59.36 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 36' ' ' PHE . 46.2 p90 -61.9 150.76 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.526 HD22 ' HA3' ' A' ' 63' ' ' GLY . 1.8 mp -99.09 -175.0 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.489 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.6 p -132.86 99.8 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' ASP . 9.9 tp10 -78.16 169.69 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 53' ' ' GLU . 42.6 mtp180 -33.43 -72.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.58 29.54 5.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' GLU . 15.7 m-20 -158.25 168.5 26.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 45' ' ' LEU . 19.1 pt -111.56 156.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.42 169.54 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.622 ' HB3' HD21 ' A' ' 45' ' ' LEU . 21.6 p -99.8 158.6 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 0.0 110.88 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 51' ' ' LEU . 66.0 Cg_exo -47.98 -40.0 32.96 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.09 -41.0 91.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.8 m -83.76 -58.62 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.526 ' HA3' HD22 ' A' ' 51' ' ' LEU . . . -46.23 -35.14 6.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -74.68 -30.64 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -111.12 49.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 ' CG1' ' HA2' ' A' ' 63' ' ' GLY . 40.6 mm -87.58 115.73 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t 52.45 43.69 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 141.68 3.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.45 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -130.21 150.91 51.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.3 m -73.76 -55.51 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.501 -179.962 . . . . . . . . 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 . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.2 m -36.72 149.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -118.08 -45.35 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.07 151.03 6.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -144.25 139.07 28.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -54.76 164.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.47 -83.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HA ' HD11 ' A' ' 15' ' ' ILE . 1.2 t -91.59 125.67 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.54 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . . . -83.1 51.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -149.95 -66.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.16 26.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.2 p 37.67 35.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -131.89 159.97 69.7 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.632 0.729 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 159.65 52.64 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.37 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 8' ' ' CYS . 70.1 mt -109.5 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 t -174.4 149.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.47 -149.02 5.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 mt -83.01 46.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.932 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.46 -151.99 23.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.3 171.51 50.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 22' ' ' LYS . 38.9 m -155.33 154.1 31.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 77.9 mttt -90.05 28.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CG ' HG21 ' A' ' 15' ' ' ILE . 28.1 p90 -55.39 151.84 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 46' ' ' VAL . 11.2 mm -80.62 127.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.9 p -121.48 122.47 39.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.7 ' CZ ' HG21 ' A' ' 52' ' ' THR . 33.8 t80 -111.61 171.66 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 5.5 mm-40 -33.17 -50.89 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -132.86 -41.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.578 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 34.7 mtm180 -78.93 168.84 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 63.2 mt-30 -153.65 170.37 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CH2' ' HB3' ' A' ' 29' ' ' ARG . 31.4 m-90 -161.51 -175.03 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.434 ' NE2' HG12 ' A' ' 15' ' ' ILE . 12.6 m170 -111.21 154.25 24.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 31.1 m120 -49.16 -19.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 33.4 t0 -109.37 -52.92 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.8 m -51.54 -40.41 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' CG ' HG13 ' A' ' 24' ' ' ILE . 4.6 t80 -55.34 100.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 75.7 m-20 -152.47 148.32 27.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.4 t -42.91 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -107.25 -3.13 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -113.65 -42.13 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.45 -0.68 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 47.74 41.67 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 44' ' ' SER . 11.1 tp -88.62 150.55 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.403 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 7.5 t -54.92 120.52 6.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 50' ' ' PHE . 36.9 mt -105.93 -26.52 11.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG23 HD11 ' A' ' 24' ' ' ILE . 7.5 p -50.9 111.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.89 16.36 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 48' ' ' ARG . 9.5 mtp-105 -140.52 175.64 9.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.17 60.99 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.748 ' HB3' HD22 ' A' ' 45' ' ' LEU . 50.5 p90 -64.22 152.38 41.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.7 mp -100.35 -175.68 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.7 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.0 p -132.87 99.29 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 tt0 -76.53 165.13 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.3 mtt-85 -32.32 -72.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -123.01 28.22 7.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 11.3 m-20 -158.04 170.1 23.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.8 pt -111.59 159.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 mt -150.27 168.7 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.564 ' HB3' HD21 ' A' ' 45' ' ' LEU . 15.0 p -104.09 157.11 34.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.5 Cg_exo -47.95 -39.55 32.49 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.713 2.276 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.6 m -88.75 -58.36 2.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -45.6 -45.18 12.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' GLY . 6.8 pttp -33.89 -45.74 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.314 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -38.84 -49.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.7 mt -40.58 120.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.9 p -80.45 42.55 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.66 -129.07 4.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 139.49 40.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.397 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 79.0 p -43.28 118.56 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.4 p -106.5 42.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.495 179.966 . . . . . . . . 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 1.451 -0.307 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -149.14 134.57 18.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -44.32 -49.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.17 -141.19 12.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -132.61 44.36 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -102.3 123.04 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.2 -111.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.483 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . 1.4 t -72.34 94.93 1.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -38.69 -31.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -73.87 0.38 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' THR . 14.8 p -94.59 17.84 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 11' ' ' CYS . 73.0 p 36.6 54.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -123.15 154.31 64.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 104.16 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.613 HG21 ' CD2' ' A' ' 23' ' ' TYR . 93.3 mt -69.96 -51.72 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' GLY . 12.6 t -39.49 -40.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -35.98 -41.69 0.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD22 ' OG1' ' A' ' 21' ' ' THR . 1.9 tt -100.52 123.95 45.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' GLY . . . -77.79 157.52 45.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . . . 35.47 90.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.524 ' OG1' HD22 ' A' ' 18' ' ' LEU . 96.6 m -137.73 152.9 49.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.15 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' N ' HG22 ' A' ' 21' ' ' THR . 52.4 mttm -84.21 31.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CD2' HG21 ' A' ' 15' ' ' ILE . 18.3 p90 -71.48 156.19 39.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.8 mp -86.57 119.32 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.439 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 59.6 p -114.69 121.15 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.754 ' CZ ' HG21 ' A' ' 52' ' ' THR . 27.6 t80 -111.65 173.73 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 67.3 mt-10 -33.19 -53.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -131.49 -44.07 1.01 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 29.6 mtt180 -75.4 166.29 23.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 49.9 mt-30 -150.24 169.27 21.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 28.2 m-90 -161.8 -175.98 5.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.541 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 25.3 m170 -112.28 152.6 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.662 ' HA ' HD11 ' A' ' 24' ' ' ILE . 1.9 t-20 -44.59 -25.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -103.88 -56.77 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.2 m -47.31 -41.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.59 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.9 t80 -55.82 97.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -147.17 151.33 36.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.77 166.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -105.38 -3.93 22.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -115.09 -42.06 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.2 p -119.08 0.99 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 m 43.66 48.77 6.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 44' ' ' SER . 8.2 tp -91.4 149.3 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.425 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 43.3 t -56.12 106.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.824 HD21 ' HB3' ' A' ' 59' ' ' CYS . 73.8 mt -93.83 -30.76 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 p -41.02 118.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.47 28.87 42.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.3 173.81 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.71 55.32 4.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -57.48 151.42 16.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.7 mp -97.02 -174.82 3.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.754 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 33.1 p -134.02 99.12 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.762 ' CD ' HD11 ' A' ' 58' ' ' LEU . 10.2 tt0 -78.05 168.27 20.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 55.6 mtm180 -34.17 -70.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -125.49 28.08 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 53' ' ' GLU . 44.2 m-20 -158.11 169.34 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.449 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -111.57 159.75 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.762 HD11 ' CD ' ' A' ' 53' ' ' GLU . 8.9 mt -150.81 165.29 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.824 ' HB3' HD21 ' A' ' 45' ' ' LEU . 19.5 p -98.98 156.66 35.24 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.91 -31.74 16.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.45 -35.83 79.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.819 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 96.6 m -89.91 -48.56 7.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -57.69 -46.24 92.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.452 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' GLY . 13.0 ptmm? -37.0 -37.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' O ' ' C ' ' A' ' 66' ' ' ILE . 7.3 m-20 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' GLY . 34.2 mm -32.4 -59.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 96.8 p -105.51 50.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.89 -119.27 2.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.0 Cg_endo -69.82 3.62 2.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.303 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.1 t -36.91 151.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -118.94 166.58 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.185 -0.786 . . . . 0.0 112.547 -179.958 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -117.85 84.89 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -132.95 173.93 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.75 -96.52 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -117.75 160.45 21.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -165.61 166.62 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.23 -148.67 19.05 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' CA ' HD11 ' A' ' 15' ' ' ILE . 4.3 t -62.01 109.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -55.25 -32.13 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.44 -77.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.3 p -89.11 24.27 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 70.5 p 33.4 52.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -131.98 161.01 65.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.32 37.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG21 ' CG ' ' A' ' 23' ' ' TYR . 63.8 mt -103.21 153.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 15' ' ' ILE . 4.1 t 71.16 43.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.03 -48.21 6.39 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.8 -47.45 5.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.75 88.83 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.47 101.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 22' ' ' LYS . 41.6 m -161.74 154.19 19.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 37.0 mttp -84.26 22.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.528 ' CG ' HG21 ' A' ' 15' ' ' ILE . 23.0 p90 -46.28 155.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 33' ' ' ASN . 3.1 mp -84.11 113.03 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.423 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 37.8 p -109.36 119.97 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.9 t80 -112.09 174.5 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' PHE . 4.4 mm-40 -33.26 -53.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -132.59 -44.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 55.1 mtt180 -78.34 163.95 25.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.546 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 80.8 mt-30 -146.15 172.16 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 32.1 m-90 -162.62 -175.06 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.59 ' C ' HD13 ' A' ' 24' ' ' ILE . 16.1 m170 -113.37 152.44 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.697 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.0 m-80 -44.09 -29.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.0 t0 -98.4 -56.33 2.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.6 m -48.04 -47.03 33.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.595 ' CD2' HG12 ' A' ' 24' ' ' ILE . 5.2 t80 -51.93 91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 38.6 m-20 -145.59 148.32 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.52 166.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' NZ ' ' OD1' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -107.18 -12.6 15.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -99.29 -54.2 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.1 p -102.88 -15.86 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t 62.35 54.85 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.2 152.85 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.3 t -56.56 119.91 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 50' ' ' PHE . 36.5 mt -104.89 -28.12 11.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 46' ' ' VAL . 3.2 p -44.59 113.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.9 29.91 22.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -138.4 178.23 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.03 47.44 2.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.422 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' HB2' HD13 ' A' ' 45' ' ' LEU . 47.8 p90 -48.36 153.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.2 mp -99.8 -178.91 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.478 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 p -130.86 100.3 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.1 tp10 -77.82 167.29 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -34.85 -68.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -126.49 25.55 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 72.4 m-20 -154.66 172.15 18.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.412 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.1 pt -114.93 158.27 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD12 ' OE1' ' A' ' 53' ' ' GLU . 7.6 mt -148.23 172.56 14.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.548 ' CB ' HD21 ' A' ' 45' ' ' LEU . 16.0 p -106.51 156.27 37.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.9 Cg_exo -48.0 -39.73 32.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -35.69 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.7 m -90.05 -57.98 2.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -45.66 -39.55 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.469 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 65' ' ' ASP . 13.6 pttm -35.99 -43.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 11.1 t70 -63.41 -42.44 98.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' GLY . 36.2 mm -42.52 118.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.5 p -91.57 -44.25 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.83 -143.2 40.28 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 149.84 67.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.6 m -40.43 -41.05 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p 41.14 42.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.497 -179.991 . . . . . . . . 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 1.451 -0.318 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -43.3 105.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -114.97 165.0 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.85 117.12 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -119.69 -45.87 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -86.02 122.14 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.73 172.67 28.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.435 ' HA ' HD11 ' A' ' 15' ' ' ILE . 8.6 t -61.72 121.42 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . . . -81.42 39.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.81 -70.93 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.7 p -85.94 28.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p 39.08 48.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -141.1 149.12 54.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.719 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.12 39.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.714 HG21 ' CD2' ' A' ' 23' ' ' TYR . 44.2 mt -121.83 157.21 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.478 ' N ' HG22 ' A' ' 15' ' ' ILE . 28.8 t -42.07 158.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -38.15 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -137.11 135.02 37.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.86 0.362 . . . . 0.0 110.927 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 38.95 -159.3 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.01 -46.99 2.18 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.53 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 22' ' ' LYS . 22.1 m -88.15 156.14 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.176 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' N ' HG22 ' A' ' 21' ' ' THR . 26.7 mtmt -82.47 69.36 9.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.714 ' CD2' HG21 ' A' ' 15' ' ' ILE . 16.2 p90 -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.856 HD11 HG23 ' A' ' 46' ' ' VAL . 37.3 mm -104.51 135.52 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.0 t -132.23 135.31 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.8 t80 -126.23 175.45 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' PHE . 43.0 mt-10 -30.83 -56.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -130.77 -40.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 82.2 mtt180 -79.72 171.43 15.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.513 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 69.5 mt-30 -154.56 173.39 16.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.513 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 31.7 m-90 -161.44 -174.98 4.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -115.82 144.12 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -40.49 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 32' ' ' HIS . 30.7 t0 -100.11 -53.28 3.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 98.4 m -54.43 -48.88 71.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CB ' HG13 ' A' ' 24' ' ' ILE . 4.4 t80 -45.92 97.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 78.8 m-20 -151.1 147.24 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 58' ' ' LEU . 13.1 t -43.41 166.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -109.99 -10.08 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -101.3 -52.87 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 p -103.67 -17.22 15.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t 65.04 51.53 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.4 tp -103.38 152.84 21.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -58.31 119.85 7.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.796 HD21 ' HB3' ' A' ' 59' ' ' CYS . 89.3 mt -103.24 -32.25 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 24' ' ' ILE . 5.5 p -40.89 109.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.47 30.37 10.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -140.06 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.06 50.85 4.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -52.47 153.16 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.7 mp -102.76 -179.53 3.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 34.7 p -128.86 99.73 5.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.626 ' CD ' HD11 ' A' ' 58' ' ' LEU . 23.1 tt0 -75.92 166.09 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 25.5 mtm180 -34.01 -68.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.26 26.34 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 8.1 m-20 -155.39 176.67 12.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.62 157.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD11 ' CD ' ' A' ' 53' ' ' GLU . 8.4 mt -147.86 168.4 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.796 ' HB3' HD21 ' A' ' 45' ' ' LEU . 20.2 p -100.92 156.87 34.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.566 0.698 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.479 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.4 Cg_exo -47.92 -35.64 25.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.16 -35.54 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.2 m -87.18 -54.49 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' HA2' ' CD1' ' A' ' 66' ' ' ILE . . . -54.07 -42.33 71.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -48.91 -30.97 6.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -87.03 30.91 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.415 ' CD1' ' HA2' ' A' ' 63' ' ' GLY . 40.7 mt -120.23 144.84 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 m 62.56 41.57 9.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 69' ' ' PRO . . . -103.0 -140.67 11.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 68' ' ' GLY . 53.8 Cg_endo -69.71 83.44 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -139.49 -179.96 6.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.1 m -75.53 111.73 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 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 -0.273 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -133.21 86.72 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -150.35 137.61 19.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.98 130.11 2.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -82.11 171.56 14.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -85.83 157.38 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.13 -120.49 1.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 t -76.2 127.12 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.765 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -86.84 45.27 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.5 -69.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.0 p -85.56 28.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' CYS . 52.3 p 35.36 43.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -139.01 158.41 69.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.725 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.312 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' SER . 62.8 mt -119.08 151.75 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ILE . 46.4 t -34.6 -50.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.77 -123.11 6.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.08 -53.86 24.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.05 120.07 4.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 126.07 6.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -154.12 149.62 27.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.109 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -83.7 37.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 25' ' ' SER . 9.8 p90 -81.06 159.93 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.8 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -91.5 118.39 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 35.5 p -115.66 120.44 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.844 ' CZ ' HG21 ' A' ' 52' ' ' THR . 22.3 t80 -109.84 172.45 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 26' ' ' PHE . 51.9 mt-10 -35.08 -55.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.8 -43.35 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 19.8 mtt180 -79.13 169.52 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.552 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 56.2 mt-30 -153.97 172.13 17.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.765 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 29.9 m-90 -162.94 -175.69 4.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.542 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 16.4 m170 -113.59 156.35 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.608 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.4 t-20 -44.93 -34.12 2.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.504 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 25.2 m-20 -96.08 -58.39 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 81.6 m -43.97 -44.2 7.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CD2' HG12 ' A' ' 24' ' ' ILE . 6.0 t80 -56.03 102.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 76.7 m-20 -153.53 147.33 25.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 42' ' ' SER . 12.4 t -44.23 169.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -106.78 -15.02 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -102.07 -49.04 4.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.3 p -110.77 -4.37 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.443 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 2.1 m 48.25 44.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 tp -88.92 150.65 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -53.36 111.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.731 HD21 ' HB3' ' A' ' 59' ' ' CYS . 60.2 mt -97.63 -31.21 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 p -44.61 117.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.11 29.8 33.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -138.54 177.28 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.35 55.52 3.54 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.56 ' HB3' HD22 ' A' ' 45' ' ' LEU . 53.2 p90 -58.57 156.81 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 51' ' ' LEU . 2.7 mp -103.28 -174.88 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.844 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 28.7 p -132.96 99.8 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.592 ' OE1' HD11 ' A' ' 58' ' ' LEU . 10.0 tt0 -78.73 164.53 24.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -32.72 -69.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -125.62 26.49 6.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.4 m-20 -156.42 169.54 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.438 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 24.1 pt -113.94 159.47 13.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.592 HD11 ' OE1' ' A' ' 53' ' ' GLU . 7.5 mt -150.07 168.63 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.731 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.8 p -102.07 157.1 34.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.03 -34.84 24.11 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.75 -36.62 84.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -88.98 -53.7 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -52.77 -47.36 58.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLY . 13.1 ptmm? -35.14 -40.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -46.72 -49.44 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 22.0 mt -42.02 113.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.7 m -88.41 46.44 1.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -115.76 -130.8 4.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.75 40.78 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 61.14 41.43 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 p -87.51 42.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.491 -179.994 . . . . . . . . 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 1.45 -0.374 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -51.25 115.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -150.98 159.37 44.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.24 -147.06 17.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -158.26 128.73 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -118.31 92.91 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.93 -143.34 9.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -98.92 102.96 14.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.658 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -45.78 -22.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.72 -86.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -85.91 18.37 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.0 p 40.25 54.81 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -127.07 157.48 71.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.719 . . . . 0.0 110.861 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HD2' ' ND2' ' A' ' 13' ' ' ASN . 54.2 Cg_endo -69.77 118.28 5.59 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.392 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.672 HG21 ' CD2' ' A' ' 23' ' ' TYR . 55.5 mt -82.81 -47.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -47.47 146.04 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.07 -82.59 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 tp -109.92 -51.03 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.39 134.66 2.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.08 60.28 5.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -97.65 153.66 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 111.183 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -83.34 67.6 9.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.672 ' CD2' HG21 ' A' ' 15' ' ' ILE . 13.5 p90 -125.32 172.19 9.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.508 HD11 HG23 ' A' ' 46' ' ' VAL . 5.6 mm -101.1 134.39 41.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.167 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 t -133.57 134.64 43.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.658 ' CZ ' HG21 ' A' ' 52' ' ' THR . 20.6 t80 -121.8 175.93 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.3 mm-40 -33.86 -48.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.88 -44.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -78.54 164.44 24.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -153.77 165.57 35.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.658 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 25.0 m-90 -154.8 176.91 11.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -98.57 162.04 13.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.2 -23.12 33.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.6 t70 -104.84 -50.77 3.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 70.9 m -53.69 -44.25 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CB ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.88 103.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 83.0 m-20 -154.67 149.06 26.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.9 t -44.12 168.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 -13.81 14.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -100.49 -41.3 7.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.2 p -116.75 -12.07 10.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m 56.85 46.42 19.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.5 tp -94.46 155.45 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.0 t -56.19 113.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.859 HD21 ' HB3' ' A' ' 59' ' ' CYS . 37.9 mt -101.94 -18.65 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.508 HG23 HD11 ' A' ' 24' ' ' ILE . 2.0 p -57.64 108.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.6 21.64 26.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -130.19 -179.64 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.53 55.64 2.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -54.28 150.02 9.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -100.6 -175.98 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.658 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 20.9 p -129.77 100.21 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.862 ' OE1' HD11 ' A' ' 58' ' ' LEU . 16.2 tt0 -78.27 164.83 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -33.74 -70.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.07 25.91 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 24.4 m-20 -156.73 175.03 14.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.426 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.7 pt -115.8 160.81 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.862 HD11 ' OE1' ' A' ' 53' ' ' GLU . 9.8 mt -150.2 169.89 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.859 ' HB3' HD21 ' A' ' 45' ' ' LEU . 15.5 p -104.6 157.07 34.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.95 -40.17 32.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -59.71 -36.05 75.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 95.0 m -89.18 -57.54 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' ASP . . . -45.53 -38.93 7.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -42.24 -23.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLY . 1.2 m-20 -83.04 23.25 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 63' ' ' GLY . 15.1 mt -133.79 76.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -125.22 -49.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.92 -156.01 15.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -11.61 31.27 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.382 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.1 t -170.09 144.07 2.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 p -92.87 101.15 13.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.163 -0.799 . . . . 0.0 112.494 179.99 . . . . . . . . 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 -0.32 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -142.66 113.99 7.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -80.64 46.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.15 74.65 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -168.72 117.17 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -129.42 97.6 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.07 175.78 41.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -50.41 98.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.542 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -42.1 -30.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.27 -81.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' THR . 22.0 p -85.13 23.67 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 11' ' ' CYS . 71.3 p 35.62 45.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -126.2 154.62 74.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 130.32 19.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' SER . 61.4 mt -86.14 149.1 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' ILE . 43.1 t -34.24 -62.49 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.05 43.55 98.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -131.26 37.9 3.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.84 129.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.78 87.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 21' ' ' THR . 18.5 m -126.78 -11.51 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.164 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm 63.74 52.14 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -118.41 177.03 4.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 46' ' ' VAL . 43.4 mm -99.0 121.08 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 p -119.43 127.4 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 52' ' ' THR . 14.6 t80 -117.69 177.18 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 58.8 mm-40 -32.94 -55.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.83 -43.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -75.69 161.81 28.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -145.56 151.23 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.542 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 30.4 m-90 -142.76 172.86 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' ASP . 21.8 m170 -97.78 136.35 38.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m-20 -33.71 -34.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' HIS . 19.5 t0 -90.3 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.9 m -49.69 -51.71 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.83 100.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -154.6 151.01 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 45' ' ' LEU . 16.1 t -45.46 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -106.2 -17.45 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -95.79 -56.96 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.31 -15.08 18.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t 58.85 54.93 4.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 44' ' ' SER . 31.9 tp -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.467 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 41.2 t -59.46 113.97 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD21 ' HB3' ' A' ' 59' ' ' CYS . 67.5 mt -101.0 -30.25 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.817 HG23 HD11 ' A' ' 24' ' ' ILE . 4.0 p -48.28 110.15 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.28 27.69 17.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -137.54 -176.61 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.5 57.78 2.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -61.35 145.93 49.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.58 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.3 mp -97.84 -177.03 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.479 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 18.4 p -128.06 104.75 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.835 ' CD ' HD11 ' A' ' 58' ' ' LEU . 7.8 tt0 -82.57 167.0 18.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' GLU . 65.0 mtt180 -34.15 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -122.35 28.39 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 m-20 -160.08 171.77 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 20.2 pt -112.06 159.29 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD11 ' CD ' ' A' ' 53' ' ' GLU . 9.2 mt -148.56 170.96 16.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.715 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.5 p -104.13 156.38 35.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.9 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.58 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.3 Cg_exo -47.97 -38.6 31.63 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.247 . . . . 0.0 112.384 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -37.02 81.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.5 m -87.79 -57.13 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -47.81 -48.94 23.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 18.1 ptmt -34.47 -44.05 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -46.93 -49.2 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.2 mt -48.28 105.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.7 p -107.37 42.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.41 -176.19 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 84.26 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.389 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.5 p -117.52 89.06 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -118.04 85.78 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.515 -179.969 . . . . . . . . 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 -0.323 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -53.17 -54.0 42.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -106.31 94.39 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.68 158.91 28.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.0 p -168.72 110.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 5' ' ' SER . 97.2 p -36.23 108.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.45 -151.34 11.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.492 ' HB2' HD11 ' A' ' 15' ' ' ILE . 2.4 t -79.12 98.8 6.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.85 -27.15 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.99 -79.44 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.2 p -89.57 27.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 63.6 p 33.2 52.02 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -134.0 154.61 80.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.713 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.36 60.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.617 HG21 ' CD2' ' A' ' 23' ' ' TYR . 76.0 mt -108.13 -41.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -39.5 114.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.22 -128.08 4.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -114.73 -51.33 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -105.38 -126.8 5.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.636 ' O ' HG23 ' A' ' 21' ' ' THR . . . -97.35 -176.09 34.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -175.21 137.04 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 35.4 mttp -81.64 11.38 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.617 ' CD2' HG21 ' A' ' 15' ' ' ILE . 9.0 p90 -53.08 167.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.1 mp -97.61 135.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.0 t -132.59 131.96 42.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 52' ' ' THR . 24.1 t80 -120.5 174.45 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 26' ' ' PHE . 19.1 mm-40 -32.25 -49.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -135.04 -42.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -78.09 165.68 23.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.528 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 63.9 mt-30 -148.62 173.09 13.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.528 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 30.0 m-90 -162.46 -175.12 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.648 ' C ' HD13 ' A' ' 24' ' ' ILE . 18.4 m170 -117.28 165.85 12.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HA ' HD11 ' A' ' 24' ' ' ILE . 2.6 m-80 -55.41 -28.51 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.9 t70 -99.57 -50.59 4.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -54.89 -46.62 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.605 ' CD2' HG12 ' A' ' 24' ' ' ILE . 4.4 t80 -54.31 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 12.3 m-20 -145.92 147.91 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.8 t -45.34 166.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.2 -3.47 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -114.03 -41.66 3.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.84 -0.47 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 m 45.98 45.39 12.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.1 tp -90.47 148.84 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 t -54.61 111.65 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 50' ' ' PHE . 59.7 mt -97.98 -26.55 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.8 p -45.74 117.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.0 32.41 32.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -138.2 177.3 7.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.16 51.95 3.15 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 45' ' ' LEU . 52.4 p90 -55.27 158.06 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.1 mp -105.54 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.3 p -129.02 103.8 7.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.6 tt0 -81.63 163.23 22.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 53' ' ' GLU . 18.7 mmt85 -33.04 -68.95 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -125.21 25.14 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLU . 63.4 m-20 -155.71 173.56 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.8 pt -116.43 155.86 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -145.92 170.03 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.696 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.9 p -102.93 157.21 34.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.74 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HA ' HD11 ' A' ' 51' ' ' LEU . 66.4 Cg_exo -48.03 -36.21 27.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -63.44 -39.88 95.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.6 m -84.78 -54.21 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -51.63 -53.6 28.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ASP . 12.7 pttp -36.45 -44.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 15.7 t0 -59.41 -43.79 92.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLY . 71.6 mt -62.6 114.28 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -53.59 -52.72 58.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.97 123.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -18.94 36.69 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 0.0 112.4 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.3 m -125.62 -58.62 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 t -65.14 152.58 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.495 -179.998 . . . . . . . . 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 -0.364 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -74.55 101.37 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -131.23 154.55 48.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 150.13 6.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -85.22 42.61 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -135.96 171.5 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 -152.16 19.72 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.37 101.89 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.348 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.28 -26.08 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.81 -78.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.3 p -91.56 26.11 2.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' CYS . 62.4 p 33.77 54.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -132.12 158.59 75.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.37 14.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.66 HD13 ' CD2' ' A' ' 23' ' ' TYR . 96.7 mt -86.12 -54.77 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.3 p -50.96 128.15 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.57 -75.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.5 mm? -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 37.23 -128.23 1.24 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.623 ' O ' HG23 ' A' ' 21' ' ' THR . . . -61.7 -176.84 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -174.61 136.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 111.124 -179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 77.2 mttt -81.43 10.19 6.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.66 ' CD2' HD13 ' A' ' 15' ' ' ILE . 5.8 p90 -53.47 168.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 46' ' ' VAL . 26.1 mm -96.34 123.19 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -118.16 128.21 54.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 52' ' ' THR . 16.0 t80 -119.06 175.68 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' PHE . 61.8 mt-10 -32.51 -54.4 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -132.88 -43.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -74.76 162.4 28.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 67.5 mt-30 -144.88 168.46 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.515 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 27.0 m-90 -161.54 179.76 7.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -105.99 153.86 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 20.5 m120 -48.56 -23.26 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -104.03 -53.54 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.401 ' O ' ' N ' ' A' ' 37' ' ' ASN . 81.5 m -51.07 -43.2 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.3 t80 -51.64 91.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 66.0 m-20 -146.29 150.77 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.0 t -43.52 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -105.32 -16.57 14.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -96.8 -59.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -95.65 -16.31 22.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.5 t 61.05 54.57 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 tp -103.06 153.26 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.1 t -56.89 115.31 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD21 ' HB3' ' A' ' 59' ' ' CYS . 83.5 mt -99.51 -27.44 13.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -43.08 113.7 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 32.22 30.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -136.47 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.27 52.75 3.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.446 ' HB2' HD13 ' A' ' 45' ' ' LEU . 46.6 p90 -57.18 148.38 22.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -98.0 -179.91 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 19.9 p -128.21 101.25 6.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 4.0 tt0 -79.66 165.63 22.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -31.45 -72.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -124.25 27.29 7.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 38.3 m-20 -156.76 165.96 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.438 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -109.18 160.07 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.5 HD11 ' OE2' ' A' ' 53' ' ' GLU . 10.5 mt -151.31 171.76 16.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.727 ' HB3' HD21 ' A' ' 45' ' ' LEU . 18.0 p -104.03 156.21 36.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.612 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.4 Cg_exo -47.95 -34.07 21.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.5 -40.95 93.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -83.09 -52.48 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.89 -51.44 49.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' PRO . 21.2 ptmt -43.59 -42.68 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.95 -46.48 71.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 78.1 mt -38.1 107.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.3 t -107.12 45.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -97.0 -147.91 23.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -22.6 31.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.225 . . . . 0.0 112.355 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 t -48.21 -57.54 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -111.73 150.13 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.485 -179.985 . . . . . . . . 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 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -74.75 103.71 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 0.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -156.93 131.94 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.38 -41.58 20.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -67.3 91.07 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -61.69 -51.86 66.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.96 -147.33 18.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' HB2' HD11 ' A' ' 15' ' ' ILE . 1.3 t -68.21 101.51 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -48.21 -26.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -81.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 12' ' ' THR . 24.6 p -84.61 25.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.907 0.384 . . . . 0.0 110.835 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 11' ' ' CYS . 61.3 p 33.94 49.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -133.47 156.09 80.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.661 0.743 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 132.2 22.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.53 HG21 ' CG ' ' A' ' 23' ' ' TYR . 55.5 mt -90.91 102.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.3 t -171.58 150.29 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.42 -102.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' GLY . 6.3 tp -52.16 158.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' LEU . . . -33.0 -67.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.09 91.56 0.15 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.6 m -66.55 150.97 48.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 30.1 mttp -84.44 26.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' CG ' HG21 ' A' ' 15' ' ' ILE . 25.1 p90 -49.41 157.83 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.528 HG13 ' CG ' ' A' ' 36' ' ' PHE . 14.7 mm -86.91 125.98 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.3 p -119.69 124.91 47.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.8 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.8 t80 -117.43 178.24 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 20.6 mt-10 -33.76 -56.12 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -131.39 -43.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' C ' ' HG3' ' A' ' 30' ' ' GLN . 65.4 mtt180 -76.17 166.26 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 18.8 mt-30 -149.43 170.35 18.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.493 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 29.1 m-90 -160.75 -174.98 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.427 ' NE2' HG12 ' A' ' 15' ' ' ILE . 18.5 m170 -115.45 160.3 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 1.7 m-80 -50.19 -24.22 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -105.24 -54.02 2.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.82 -40.27 60.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.528 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.7 t80 -59.61 89.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 152.46 42.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.2 t -46.4 167.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -105.51 -16.88 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -97.64 -58.09 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -96.79 -14.37 21.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 p 58.08 54.05 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.2 tp -104.19 148.95 25.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.0 t -53.62 119.12 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD21 ' HB3' ' A' ' 59' ' ' CYS . 82.9 mt -101.42 -30.56 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG23 HD11 ' A' ' 24' ' ' ILE . 2.6 p -39.48 118.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.67 29.62 42.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -136.45 -179.93 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.88 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -57.15 157.49 6.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mp -104.03 -177.63 3.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.1 p -131.08 98.3 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 54' ' ' ARG . 3.3 tp10 -82.04 165.9 20.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 53' ' ' GLU . 46.2 mtt180 -31.73 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -123.67 27.94 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 63.3 m-20 -157.38 169.03 25.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.422 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 16.8 pt -114.52 162.72 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 9.8 mt -149.96 169.1 21.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.627 ' HB3' HD21 ' A' ' 45' ' ' LEU . 22.0 p -99.45 157.79 33.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.02 -30.14 13.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -53.97 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 97.9 m -69.21 -44.18 72.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -67.19 -33.83 84.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 63' ' ' GLY . 15.4 tttm -29.75 -66.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -37.5 -48.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' GLY . 84.4 mt -35.7 121.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.1 p 40.66 49.59 2.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.32 142.75 4.27 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 111.99 2.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 71' ' ' SER . 15.8 t 49.2 42.41 21.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 70' ' ' SER . 6.6 t -37.45 -59.69 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.525 -179.954 . . . . . . . . 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 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m 58.95 44.24 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -51.42 110.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.29 116.2 0.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -46.28 119.72 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m -66.5 101.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.0 -152.02 43.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 12' ' ' THR . 11.6 t -55.8 98.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -40.57 -38.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.061 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.95 -77.84 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' THR . 25.0 p -90.04 19.37 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' CYS . 72.3 p 34.6 48.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.71 153.39 49.16 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.38 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.551 HG21 ' CD2' ' A' ' 23' ' ' TYR . 82.4 mt -70.14 89.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.2 t -170.9 123.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.92 -88.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.12 91.2 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 41.02 -132.56 3.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.72 140.61 37.47 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.7 m -139.12 144.23 38.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -76.3 48.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CD2' HG21 ' A' ' 15' ' ' ILE . 12.7 p90 -97.48 158.38 15.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 HG23 ' A' ' 46' ' ' VAL . 17.8 mm -88.19 124.97 41.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -119.82 123.63 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.815 ' CZ ' HG21 ' A' ' 52' ' ' THR . 47.7 t80 -114.63 173.14 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 26' ' ' PHE . 46.5 mm-40 -32.8 -54.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -130.48 -44.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 21.7 mtt85 -75.76 166.53 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 36.2 mt-30 -150.16 169.69 20.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 28.7 m-90 -161.3 -176.33 5.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -110.38 154.12 23.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -47.87 -24.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -103.96 -52.73 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -51.87 -44.64 63.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' CG ' HG13 ' A' ' 24' ' ' ILE . 5.8 t80 -52.31 96.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.0 m-20 -147.39 153.9 40.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' SER . 13.0 t -49.24 169.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -108.98 -10.55 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -105.26 -41.98 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.3 p -119.09 0.05 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 18.9 m 47.56 37.89 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.563 HD12 ' H ' ' A' ' 44' ' ' SER . 23.1 tp -80.79 155.14 26.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.563 ' H ' HD12 ' A' ' 43' ' ' LEU . 43.2 t -61.88 113.45 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 50' ' ' PHE . 40.8 mt -98.73 -32.07 11.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 HD11 ' A' ' 24' ' ' ILE . 2.6 p -41.8 118.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.73 31.99 42.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -138.57 172.21 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.43 50.56 4.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 45' ' ' LEU . 51.6 p90 -53.28 157.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.598 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.6 mp -106.13 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.815 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 17.0 p -126.11 101.75 6.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.835 ' OE1' HD11 ' A' ' 58' ' ' LEU . 17.4 tt0 -78.64 162.13 26.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 53' ' ' GLU . 51.1 mtm-85 -32.29 -70.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -122.86 27.76 7.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 53' ' ' GLU . 35.1 m-20 -159.45 178.51 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.406 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 18.2 pt -119.18 156.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD11 ' OE1' ' A' ' 53' ' ' GLU . 6.5 mt -146.99 165.37 30.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.492 ' CB ' HD21 ' A' ' 45' ' ' LEU . 18.3 p -97.73 155.46 37.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.598 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.3 Cg_exo -48.05 -31.77 16.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.83 -38.79 80.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.3 m -85.05 -43.99 13.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -60.34 -38.64 94.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 60' ' ' PRO . 12.0 ptmt -39.81 -33.51 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -84.61 28.17 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' GLY . 50.9 mt -122.84 81.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -89.3 42.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.0 -165.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.432 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.9 Cg_endo -69.68 -49.79 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 0.0 112.362 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' PRO . 76.8 p -37.38 135.89 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -172.12 133.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.503 179.989 . . . . . . . . 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 -0.312 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 m -77.59 99.83 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 t -63.97 122.41 16.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.93 -123.95 25.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m 65.09 47.12 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -109.57 -64.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.54 -148.0 5.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.56 99.47 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' CB ' ' HE ' ' A' ' 29' ' ' ARG . . . -50.71 -22.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.18 -80.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' THR . 24.6 p -83.49 21.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.966 0.412 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' CYS . 69.0 p 34.63 54.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.79 158.06 73.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.728 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.81 8.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.347 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.428 HG12 ' NE2' ' A' ' 32' ' ' HIS . 67.1 mt -76.48 -65.43 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -168.53 176.6 5.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.56 -35.27 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 18' ' ' LEU . 3.7 mm? -71.17 -71.81 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.82 -162.52 29.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 43.28 93.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -162.68 153.64 17.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.178 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 25.0 mttm -83.43 70.15 10.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -131.3 173.95 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.598 HD11 HG23 ' A' ' 46' ' ' VAL . 14.1 mm -102.61 124.61 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 p -120.64 127.26 51.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.656 ' CZ ' HG21 ' A' ' 52' ' ' THR . 14.1 t80 -115.43 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' PHE . 22.5 mm-40 -34.39 -57.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -128.08 -41.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD3' ' CZ2' ' A' ' 31' ' ' TRP . 8.1 mtp85 -72.93 177.27 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HG3' ' C ' ' A' ' 29' ' ' ARG . 10.7 mt-30 -159.36 163.03 35.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.444 ' CZ2' ' HD3' ' A' ' 29' ' ' ARG . 31.1 m-90 -157.99 -175.83 5.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.911 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.428 ' NE2' HG12 ' A' ' 15' ' ' ILE . 16.1 m170 -110.96 145.04 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 22' ' ' LYS . 2.4 m120 -40.68 -32.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 4.6 t70 -93.85 -54.64 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 83.1 m -49.99 -52.28 35.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -42.26 104.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.9 m-20 -156.72 153.08 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' HA ' HD11 ' A' ' 45' ' ' LEU . 14.0 t -47.42 164.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.95 -7.59 18.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -106.76 -51.14 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.04 -8.39 16.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.1 p 52.8 54.92 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 tp -103.41 150.86 23.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.4 t -52.71 109.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 59' ' ' CYS . 58.4 mt -97.19 -20.43 17.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.598 HG23 HD11 ' A' ' 24' ' ' ILE . 1.8 p -55.26 114.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.96 23.46 41.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -130.98 -178.92 5.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.83 52.86 2.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -56.29 147.59 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.8 mp -100.48 -175.11 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.656 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 35.3 p -133.32 100.38 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.703 ' OE1' HD11 ' A' ' 58' ' ' LEU . 1.8 tt0 -76.67 166.39 23.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 53' ' ' GLU . 91.4 mtt180 -31.55 -70.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.68 27.49 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 53' ' ' GLU . 71.1 m-20 -156.03 163.34 39.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 17.8 pt -106.16 159.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.703 HD11 ' OE1' ' A' ' 53' ' ' GLU . 16.1 mt -154.06 172.05 18.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.833 ' HB3' HD21 ' A' ' 45' ' ' LEU . 18.7 p -102.94 158.75 31.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.65 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.1 Cg_exo -47.97 -41.32 33.0 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -52.79 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.5 m -73.1 -58.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.03 -56.06 2.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -54.16 -42.44 69.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -64.98 -34.73 79.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 65' ' ' ASP . 41.4 mm -35.01 119.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -39.06 -56.93 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.87 130.53 1.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 153.42 69.01 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m -68.42 168.66 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.6 p -161.79 167.43 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.471 -179.947 . . . . . . . . 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 1.452 -0.278 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -134.85 169.65 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.905 0.383 . . . . 0.0 110.813 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -82.59 101.36 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.15 85.72 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -119.89 83.41 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.367 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -166.97 146.28 5.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.03 -148.27 18.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -71.15 103.67 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -57.96 -14.05 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.76 -77.7 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -85.57 27.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.1 p 37.58 50.0 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -141.4 160.01 58.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.59 0.71 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.68 48.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.751 HG21 ' CD2' ' A' ' 23' ' ' TYR . 63.2 mt -116.71 114.97 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -168.28 159.98 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.63 -165.81 38.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.9 tp -96.94 118.37 33.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLY . . . 67.36 166.18 2.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . . . -35.94 106.09 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 21' ' ' THR . 95.5 m -79.03 -10.32 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 mttp 62.68 38.02 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.751 ' CD2' HG21 ' A' ' 15' ' ' ILE . 20.0 p90 -91.36 167.3 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.526 HD11 HG23 ' A' ' 46' ' ' VAL . 5.3 mm -99.78 137.02 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 t -130.17 135.5 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.588 ' CZ ' HG21 ' A' ' 52' ' ' THR . 69.8 t80 -121.45 170.9 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 26' ' ' PHE . 42.6 mt-10 -32.83 -49.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -133.41 -40.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -82.63 169.37 16.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -154.69 169.21 24.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.446 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 31.3 m-90 -157.09 -176.93 6.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' NE2' HG12 ' A' ' 15' ' ' ILE . 25.1 m170 -109.97 152.93 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.46 ' ND2' HG21 ' A' ' 46' ' ' VAL . 1.7 t-20 -45.73 -23.18 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 7.5 m-20 -104.5 -57.98 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.3 m -47.29 -38.88 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' HZ ' ' CE2' ' A' ' 50' ' ' PHE . 5.2 t80 -57.59 99.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 80.1 m-20 -153.41 149.94 28.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 42' ' ' SER . 12.7 t -44.37 168.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -106.84 -12.61 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -105.16 -45.07 4.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 p -112.99 -1.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 2.4 m 45.11 47.03 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 44' ' ' SER . 9.1 tp -92.63 153.95 18.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.465 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 8.6 t -56.87 116.99 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 59' ' ' CYS . 62.7 mt -103.36 -23.01 13.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG23 HD11 ' A' ' 24' ' ' ILE . 2.5 p -52.99 118.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.52 24.59 46.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -134.35 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.56 56.47 1.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 45' ' ' LEU . 52.3 p90 -58.56 151.75 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.639 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.3 mp -98.44 -176.44 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.588 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 27.9 p -132.69 99.39 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.4 tt0 -76.03 166.19 23.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' GLU . 74.3 mtt180 -33.29 -69.25 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -126.16 25.79 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.0 m-20 -154.49 168.66 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.3 pt -111.7 159.79 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 13.6 mt -152.82 170.98 18.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.607 ' HB3' HD21 ' A' ' 45' ' ' LEU . 21.4 p -100.85 157.91 32.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.639 ' HA ' HD11 ' A' ' 51' ' ' LEU . 64.9 Cg_exo -47.95 -36.4 27.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -62.78 -54.89 32.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.87 -55.57 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -53.16 -34.8 47.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 63' ' ' GLY . 1.5 ttpt -30.5 -53.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -46.01 -49.43 16.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 63' ' ' GLY . 67.4 mt -50.79 113.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 t 62.24 40.67 11.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.65 -128.84 5.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.8 Cg_endo -69.79 90.61 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' PRO . 32.0 p -36.43 124.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.2 t -113.03 -58.65 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.464 179.952 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -100.93 97.41 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -101.73 -61.57 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 -47.69 0.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -119.72 93.57 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 p -123.7 101.14 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.06 -93.78 0.13 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.9 119.99 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.97 46.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.42 -68.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' THR . 27.1 p -84.52 28.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' CYS . 43.4 p 37.26 44.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -144.74 154.55 55.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 173.78 10.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG21 ' CG ' ' A' ' 23' ' ' TYR . 65.7 mt -121.27 -58.41 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' ILE . 3.1 m 35.23 54.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 79.03 0.76 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 tt -67.42 -51.98 45.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.93 -63.81 2.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.518 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.59 36.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 23' ' ' TYR . 27.4 m -60.54 144.68 50.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 111.173 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.64 19.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.492 ' CG ' HG21 ' A' ' 15' ' ' ILE . 28.1 p90 -44.43 151.7 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.739 HD11 HG23 ' A' ' 46' ' ' VAL . 9.4 mm -81.54 129.44 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.112 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.1 p -122.38 126.36 47.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CZ ' HG21 ' A' ' 52' ' ' THR . 17.5 t80 -117.04 173.76 6.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' PHE . 50.9 mt-10 -33.44 -51.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -133.3 -42.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 -80.78 164.93 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.541 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 77.3 mt-30 -148.52 175.27 11.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD2' ' O ' ' A' ' 30' ' ' GLN . 30.9 m-90 -162.89 -175.03 4.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' NE2' HG12 ' A' ' 15' ' ' ILE . 26.9 m80 -116.66 153.74 31.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -45.99 -21.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.59 -56.31 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.481 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 91.5 m -50.93 -42.49 59.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.519 ' CG ' HG13 ' A' ' 24' ' ' ILE . 11.8 t80 -56.26 109.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 1.8 p30 -165.65 150.36 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.3 t -41.92 163.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' ILE . 6.7 tptt -106.39 -2.3 22.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.86 -43.93 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.4 p -115.65 -0.83 12.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m 45.82 53.16 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 44' ' ' SER . 12.8 tp -96.31 155.44 16.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 33.7 t -65.33 113.83 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD22 ' HD3' ' A' ' 48' ' ' ARG . 53.6 mt -105.98 -22.48 12.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.739 HG23 HD11 ' A' ' 24' ' ' ILE . 3.1 p -48.54 86.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' LEU . . . 118.32 22.47 3.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HD3' HD22 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -135.37 -177.41 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' N ' ' HG3' ' A' ' 48' ' ' ARG . . . -94.84 65.75 1.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.501 ' HB2' HD13 ' A' ' 45' ' ' LEU . 26.7 p90 -67.11 158.67 30.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.533 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -102.65 -178.67 3.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.739 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.8 p -130.35 100.07 5.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -76.72 168.24 20.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -33.36 -68.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.28 25.82 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 6.5 m-20 -154.8 164.77 38.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.431 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.3 pt -106.02 160.24 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 14.7 mt -152.18 172.17 16.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.691 ' HB3' HD21 ' A' ' 45' ' ' LEU . 16.4 p -105.78 157.36 34.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 110.875 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.533 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.5 Cg_exo -48.06 -39.2 33.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.81 -37.02 82.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -86.29 -58.08 2.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . -49.55 -50.69 29.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' GLY . 10.7 ptmm? -36.74 -35.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -59.2 -47.22 86.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' GLY . 64.0 mt -50.3 114.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.1 p -87.27 -51.62 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.7 153.86 9.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -24.55 29.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.7 p -65.97 127.66 32.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 p -39.95 -45.93 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.471 -179.991 . . . . . . . . 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 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -130.82 148.06 52.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.921 0.391 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -168.61 116.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.06 -176.81 18.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -97.86 94.85 7.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -161.5 139.64 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.36 -155.74 17.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 t -87.18 119.2 27.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -81.0 47.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.99 -67.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 28.2 p -91.26 27.08 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' CYS . 44.5 p 36.18 52.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -142.23 151.51 58.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.18 68.0 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.443 HG21 ' CG ' ' A' ' 23' ' ' TYR . 53.1 mt -108.49 -57.45 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 t 48.06 42.97 17.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.87 41.93 2.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' GLY . 5.3 mp -38.75 114.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.357 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' LEU . . . 34.37 51.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' THR . . . -145.8 -107.88 0.55 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' GLY . 15.7 m -35.51 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 111.172 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.5 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 59.9 mttt -84.39 25.81 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' CG ' HG21 ' A' ' 15' ' ' ILE . 24.2 p90 -53.01 156.55 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 36' ' ' PHE . 10.5 mm -87.24 128.36 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 p -123.34 124.99 44.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -116.1 174.5 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' PHE . 14.4 mt-10 -34.59 -53.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -130.58 -44.2 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 48.2 mtt180 -79.61 163.92 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.529 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 20.5 mt-30 -151.21 170.44 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 24.7 m-90 -161.41 178.89 8.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.406 ' NE2' HG12 ' A' ' 15' ' ' ILE . 17.7 m170 -101.82 159.19 15.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 28.7 m120 -52.92 -20.21 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t0 -108.22 -53.19 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.8 m -52.29 -39.48 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.0 t80 -56.87 104.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 81.7 m-20 -155.7 150.94 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 45' ' ' LEU . 15.1 t -45.2 166.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -106.99 -5.23 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -111.66 -42.26 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.2 p -119.72 -1.08 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 m 46.96 42.53 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 44' ' ' SER . 3.2 tt -82.96 152.89 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' O ' HD23 ' A' ' 43' ' ' LEU . 13.7 t -56.65 109.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 38' ' ' CYS . 62.8 mt -99.85 -21.23 15.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG23 HD11 ' A' ' 24' ' ' ILE . 2.2 p -57.15 108.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.95 18.15 32.87 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -127.08 -176.93 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.99 56.1 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 36' ' ' PHE . 55.9 p90 -54.81 152.67 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.952 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.9 mp -101.26 -175.93 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.648 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 16.9 p -128.19 110.07 12.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.7 tt0 -86.56 165.38 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' GLU . 80.1 mtt180 -32.96 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -122.04 29.72 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 60.6 m-20 -161.05 170.2 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 6.1 pt -109.52 161.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 25.0 mt -154.43 168.66 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.601 ' HB3' HD21 ' A' ' 45' ' ' LEU . 26.2 p -96.35 158.07 34.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.952 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.98 -30.25 13.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.12 -53.78 15.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.94 -46.11 72.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.496 ' O ' ' C ' ' A' ' 64' ' ' LYS . . . -68.02 -31.41 75.12 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' C ' ' O ' ' A' ' 63' ' ' GLY . 14.0 tttm -29.74 -55.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -40.8 -50.36 3.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLY . 70.7 mt -49.06 113.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 p -103.41 41.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' H ' HG22 ' A' ' 66' ' ' ILE . . . 57.92 174.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -0.56 7.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 m -66.13 121.51 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.1 p -71.4 -44.43 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.484 -179.971 . . . . . . . . 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 -0.258 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -39.48 153.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -87.27 -24.68 24.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.34 110.29 0.25 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -67.32 126.94 30.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.867 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -65.01 152.12 44.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.68 -104.69 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' HD11 ' A' ' 15' ' ' ILE . 4.9 t -76.48 99.33 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.364 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.61 -25.44 10.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.19 -81.1 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' THR . 28.7 p -87.01 27.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' CYS . 70.5 p 33.76 54.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -135.91 153.92 77.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.04 66.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG21 ' CG ' ' A' ' 23' ' ' TYR . 11.6 mt -122.27 163.36 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.499 ' N ' HG22 ' A' ' 15' ' ' ILE . 4.2 p -34.01 142.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . . . -35.3 -80.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -123.51 -66.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.69 150.87 18.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 147.86 -83.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -67.79 144.97 55.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 111.148 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.51 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 21.3 mttm -78.78 38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CG ' HG21 ' A' ' 15' ' ' ILE . 40.1 p90 -67.57 166.41 14.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.526 HG13 ' CG ' ' A' ' 36' ' ' PHE . 11.2 mm -96.27 139.99 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.4 t -132.06 132.54 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' A' ' 52' ' ' THR . 29.6 t80 -119.58 174.42 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 26' ' ' PHE . 77.1 mm-40 -32.11 -50.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -133.41 -44.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.76 167.35 20.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' TRP . 26.0 mt-30 -149.06 174.6 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 31.8 m-90 -158.97 -174.99 5.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -112.04 161.86 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 19.0 m120 -50.83 -29.57 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.43 -55.54 2.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 77.2 m -46.17 -41.17 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.526 ' CG ' HG13 ' A' ' 24' ' ' ILE . 7.6 t80 -58.16 88.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -145.01 151.24 38.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' HB3' ' N ' ' A' ' 42' ' ' SER . 11.3 t -45.79 169.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -108.13 -13.94 14.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -103.28 -45.6 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 p -111.98 -6.7 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.404 ' N ' ' HB3' ' A' ' 38' ' ' CYS . 81.6 p 51.36 41.87 28.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 tp -86.0 149.87 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.2 t -58.09 110.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD21 ' HB3' ' A' ' 59' ' ' CYS . 77.0 mt -93.93 -33.37 13.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 HD11 ' A' ' 24' ' ' ILE . 2.3 p -38.7 112.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 31.92 15.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -141.08 173.81 11.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.17 57.63 4.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.449 ' HB3' HD22 ' A' ' 45' ' ' LEU . 48.2 p90 -59.3 153.46 18.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.3 mp -101.11 -175.86 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.686 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 22.0 p -132.5 99.79 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tp10 -79.21 169.42 18.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 53' ' ' GLU . 79.0 mmt-85 -34.98 -70.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -125.9 25.73 6.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' GLU . 68.7 m-20 -154.88 171.14 20.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.447 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 23.2 pt -114.13 159.02 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.447 ' HG ' ' C ' ' A' ' 57' ' ' ILE . 5.7 mt -148.68 162.36 39.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.666 ' HB3' HD21 ' A' ' 45' ' ' LEU . 19.5 p -95.22 156.77 37.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.668 0.746 . . . . 0.0 110.897 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -28.06 9.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.9 m-20 -72.42 -41.16 66.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 92.9 m -83.4 -37.63 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.64 -41.0 90.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 14.9 ptpt -55.82 -38.86 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -55.88 -36.7 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.8 mt -61.39 117.13 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.9 m 53.26 46.36 26.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.51 -119.92 2.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -0.61 7.2 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 144.21 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 t -73.67 -56.69 4.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.486 -179.959 . . . . . . . . 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 1.451 -0.309 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -91.18 164.92 13.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -101.89 90.09 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.96 -128.79 4.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -133.33 171.88 13.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.7 p -97.37 133.71 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.4 -65.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -108.16 97.12 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . . . -39.86 -25.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -64.02 -84.06 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' THR . 23.2 p -84.52 23.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' CYS . 71.2 p 34.77 46.59 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -125.69 154.53 73.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.67 8.36 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 16' ' ' SER . 73.6 mt -80.82 152.05 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' ILE . 1.9 m -34.92 127.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.21 -78.75 0.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -107.7 88.72 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -170.15 171.69 43.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.57 68.39 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 22' ' ' LYS . 6.9 m -89.0 158.94 17.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 111.15 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 21' ' ' THR . 23.0 mtmm -98.02 70.49 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -108.81 174.43 5.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.673 HD11 HG23 ' A' ' 46' ' ' VAL . 12.4 mm -102.92 132.83 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.62 137.24 53.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' N ' ' A' ' 27' ' ' GLU . 63.6 t80 -123.76 169.49 11.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.9 mm-40 -30.27 -56.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -125.93 -44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -81.46 177.63 8.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -158.55 156.8 30.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 9' ' ' ALA . 25.3 m-90 -137.53 -175.04 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.43 162.52 14.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.49 -25.33 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 13.8 t70 -104.64 -51.46 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.09 -43.89 61.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' CB ' HG13 ' A' ' 24' ' ' ILE . 3.6 t80 -52.68 100.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 34' ' ' ASP . 79.3 m-20 -152.84 150.24 29.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HA ' HD11 ' A' ' 45' ' ' LEU . 15.6 t -48.65 164.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -108.02 -4.7 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HB2' HD22 ' A' ' 58' ' ' LEU . 5.7 ttpt -107.29 -52.55 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.69 -15.47 15.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t 63.57 49.07 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 44' ' ' SER . 13.1 tp -99.11 150.97 21.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 29.5 t -57.31 114.27 2.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 59' ' ' CYS . 94.7 mt -96.21 -30.13 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.673 HG23 HD11 ' A' ' 24' ' ' ILE . 2.4 p -41.56 110.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.03 29.98 15.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -135.54 178.8 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.32 46.76 2.18 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -47.21 152.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 60' ' ' PRO . 3.7 mp -103.38 -175.89 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.3 p -128.74 105.33 8.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 1.1 tt0 -82.08 165.84 20.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -33.13 -70.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.78 25.77 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 51.8 m-20 -155.88 169.45 24.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 pt -109.29 163.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' A' ' 40' ' ' LYS . 29.5 mt -153.04 170.75 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.793 ' HB3' HD21 ' A' ' 45' ' ' LEU . 17.4 p -102.9 157.16 34.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.644 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.2 Cg_exo -47.97 -37.31 29.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.58 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 59.4 m -84.91 -56.28 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -50.18 -44.01 42.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -55.45 -16.74 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.3 24.96 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 68' ' ' GLY . 74.9 mt -107.09 136.53 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' ILE . 4.1 t -33.66 -44.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.502 ' H ' HG22 ' A' ' 66' ' ' ILE . . . 172.4 123.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.4 27.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.7 m -141.6 176.55 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.8 t -153.15 117.62 4.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.508 179.994 . . . . . . . . 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 1.451 -0.305 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -148.31 158.42 44.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -107.52 163.31 13.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.29 -127.58 5.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -143.44 142.87 31.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.387 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -66.46 167.65 10.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.45 -94.95 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 t -66.79 101.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.638 ' HB3' ' NE1' ' A' ' 31' ' ' TRP . . . -48.6 -26.33 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.066 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.96 -84.44 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.443 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' ND2' ' A' ' 13' ' ' ASN . 30.2 p -87.41 22.32 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.898 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' CYS . 72.5 p 37.54 51.23 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' ND2' ' SG ' ' A' ' 11' ' ' CYS . 91.7 m-20 -120.9 154.73 57.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 134.74 28.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.959 HG21 ' CD2' ' A' ' 23' ' ' TYR . 41.9 mt -105.66 -44.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' ILE . 54.5 p -34.75 111.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -124.81 -144.87 6.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -129.63 129.89 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 66.64 59.99 6.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.554 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 55.4 172.75 0.1 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.466 HG22 ' N ' ' A' ' 22' ' ' LYS . 18.9 m -164.14 158.65 19.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 21' ' ' THR . 20.8 mtmm -90.6 71.68 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.959 ' CD2' HG21 ' A' ' 15' ' ' ILE . 7.4 p90 -131.05 165.6 22.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.702 HD11 HG23 ' A' ' 46' ' ' VAL . 17.5 mm -92.57 124.39 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -121.97 121.28 36.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CZ ' HG21 ' A' ' 52' ' ' THR . 25.1 t80 -111.7 176.31 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PHE . 6.2 mm-40 -35.62 -53.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -130.67 -44.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 55' ' ' ASP . 34.6 mtt180 -75.58 162.96 27.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -149.73 158.24 43.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.638 ' NE1' ' HB3' ' A' ' 9' ' ' ALA . 27.7 m-90 -151.21 -178.55 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 34' ' ' ASP . 19.9 m170 -106.77 137.93 43.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' HIS . 2.7 m120 -34.46 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 3.7 m-20 -92.9 -57.6 2.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 87.2 m -47.58 -49.53 26.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -42.6 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 35' ' ' CYS . 76.8 m-20 -150.78 153.12 34.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -48.62 165.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -0.97 26.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -117.76 -43.38 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.15 -3.97 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m 55.1 30.07 13.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' ' 44' ' ' SER . 29.8 tp -72.99 154.24 40.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.401 ' H ' HD12 ' A' ' 43' ' ' LEU . 45.2 t -64.54 113.61 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 50' ' ' PHE . 59.7 mt -95.5 -31.29 13.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.702 HG23 HD11 ' A' ' 24' ' ' ILE . 2.8 p -44.49 108.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.23 33.63 7.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -144.64 171.76 13.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.0 46.01 3.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.583 ' HB3' HD22 ' A' ' 45' ' ' LEU . 54.6 p90 -46.13 148.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' ' 60' ' ' PRO . 4.9 mp -98.57 -175.71 3.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.508 HG21 ' CZ ' ' A' ' 26' ' ' PHE . 21.0 p -134.12 99.27 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 1.016 ' OE2' HD11 ' A' ' 58' ' ' LEU . 10.0 tt0 -81.0 165.26 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -30.09 -73.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' HA ' ' NH2' ' A' ' 29' ' ' ARG . 36.6 m-20 -124.25 27.86 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 53' ' ' GLU . 62.8 m-20 -157.59 169.57 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.448 ' C ' ' HG ' ' A' ' 58' ' ' LEU . 12.6 pt -110.77 163.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.016 HD11 ' OE2' ' A' ' 53' ' ' GLU . 10.0 mt -151.18 159.54 44.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.32 154.79 41.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.432 ' HA ' HD11 ' A' ' 51' ' ' LEU . 65.6 Cg_exo -48.0 -28.76 10.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 64' ' ' LYS . 11.7 t70 -73.39 -36.77 66.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.8 m -86.78 -35.98 18.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.81 -36.18 66.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -44.46 -29.43 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -43.53 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 74.7 mt -53.01 111.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -81.98 43.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.58 149.79 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -45.39 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.292 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.9 p -55.12 156.67 3.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -42.9 -55.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.473 -179.99 . . . . . . . . 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_