data_2dip_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 2dip _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 ' 30' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 30' ' ' LEU . 4.1 mm? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.43 -104.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.566 HD13 ' CD2' ' A' ' 56' ' ' HIS . 15.4 mt -139.98 139.16 20.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 162.58 41.56 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 18.1 t -71.31 152.35 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.59 -16.55 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -95.18 -73.74 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.3 p -77.47 -24.78 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 3.3 mmmm 70.33 37.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -72.96 120.01 18.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.7 t80 -146.74 125.11 6.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.77 168.69 66.64 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.316 0.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 25.7 mt -95.8 77.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.37 -46.49 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.87 -179.67 25.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.63 173.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -120.25 116.02 24.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -115.93 154.91 28.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 10.0 ptmm? -149.8 147.59 28.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 36.1 t -88.03 124.43 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -89.04 15.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -123.14 -27.83 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.47 -175.52 3.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.7 mm -118.0 129.97 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 49.19 51.21 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.555 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 12.0 t80 -122.36 129.61 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' A' ' 32' ' ' ILE . 24.5 m80 -144.85 141.08 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.12 174.81 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 p -121.53 158.58 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -44.56 -38.66 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -61.39 -67.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.9 m -53.38 -31.12 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 24.5 t80 -65.71 -34.27 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -56.96 -23.59 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -83.89 -16.82 42.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 8.6 m-85 52.13 40.58 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.89 -59.83 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.555 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -78.1 -12.82 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -42.51 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 52.9 m -46.8 -33.3 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -97.01 172.42 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 m -78.8 102.98 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.9 m-85 -102.33 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -148.02 131.92 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 11.8 p90 -105.0 150.72 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 mtm180 -101.47 179.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -131.74 167.82 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.4 pttm -48.18 161.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 77' ' ' LYS . 9.1 mmt180 -35.34 153.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 5.9 m-20 64.42 43.15 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 79' ' ' ASN . 24.0 mm100 -150.21 166.87 28.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.98 158.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 92.7 m95 -43.83 165.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.567 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 11.8 mtp180 -144.03 144.92 31.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.752 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.9 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.857 0.361 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.7 -117.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.532 HD11 ' CD2' ' A' ' 56' ' ' HIS . 27.5 mt -144.9 135.79 12.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.78 158.18 57.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 15.8 t -66.56 152.84 44.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.35 -21.24 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.15 -73.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.7 p -73.47 -26.81 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 47.5 mmtt 68.55 42.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.2 tt0 -82.76 123.59 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.81 127.01 6.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 169.08 65.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.296 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.415 HD11 ' C ' ' A' ' 33' ' ' PRO . 20.7 mt -95.03 82.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -41.56 -52.88 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.89 -174.47 8.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -60.31 175.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.0 t -119.88 126.78 51.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 2.3 m-85 -117.54 153.9 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.3 ttpp -142.25 140.23 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 40.3 t -88.66 121.24 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 p -84.59 10.63 10.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -120.21 -26.97 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.5 m -97.19 -174.68 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.5 mm -112.18 130.94 64.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 40.84 43.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.577 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 7.2 t80 -105.47 133.99 49.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.532 ' CD2' HD11 ' A' ' 32' ' ' ILE . 4.5 m80 -147.49 144.59 28.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.6 mt -124.22 168.68 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.2 p -113.47 146.23 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -34.89 -38.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.33 -66.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.5 m -50.56 -35.13 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CZ ' HD12 ' A' ' 68' ' ' LEU . 27.8 t80 -63.18 -30.06 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.53 -25.23 62.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.3 t -84.07 -18.88 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 55.39 39.5 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.97 -60.07 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.577 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.7 t60 -75.49 -11.69 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -41.36 -28.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 m -42.5 -36.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -97.29 156.62 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -68.07 101.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -99.53 158.13 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -139.06 138.59 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CE1' ' CG ' ' A' ' 83' ' ' ARG . 4.5 p90 -106.53 154.45 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.576 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -101.43 179.07 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 18.5 mt-10 -130.06 166.49 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' ARG . 15.9 pttm -48.93 165.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 8.4 tpt180 -37.11 160.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.532 ' CG ' ' O ' ' A' ' 78' ' ' ARG . 10.9 p30 51.24 53.52 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.87 156.17 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.576 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 29.0 m95 -59.4 171.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.413 ' CG ' ' CE1' ' A' ' 74' ' ' PHE . 5.6 ptm180 -174.39 160.87 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.9 mt . . . . . 0 N--CA 1.46 0.035 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 36.71 -116.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 56' ' ' HIS . 20.3 mt -143.83 139.32 16.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.77 158.1 58.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 11.9 t -69.01 151.25 46.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.57 -12.65 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.94 -72.81 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.9 p -76.45 -22.3 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.8 mmmp? 67.16 40.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -76.79 119.69 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.94 124.98 6.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.76 168.03 68.94 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.38 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 13.1 mt -95.15 105.31 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -66.24 -49.99 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.33 -178.83 16.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -54.97 173.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 111.13 17.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.6 m-85 -107.02 153.79 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 28.0 tttm -142.43 144.24 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 46.6 t -88.15 118.49 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 p -82.47 9.89 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -119.06 -26.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -98.61 -174.85 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -119.49 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 50.4 52.24 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -123.58 131.04 53.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 32' ' ' ILE . 10.4 m80 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 72' ' ' PHE . 15.9 mt -113.04 170.6 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.4 p -117.07 146.54 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 6.7 tp60 -34.67 -37.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.98 -68.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.8 m -51.46 -32.52 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 35.1 t80 -64.23 -30.47 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 t -82.48 -22.31 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 7.7 m-85 56.51 43.44 25.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.5 -57.95 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.1 t60 -80.71 -12.34 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -42.05 -23.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' HIS . 55.9 m -44.69 -32.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -96.92 176.76 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 m -84.91 102.24 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.2 m-85 -99.59 170.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -152.77 137.77 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 5.8 p90 -104.98 142.56 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.6 OUTLIER -102.9 -179.68 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -128.29 167.43 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.1 pttm -48.28 164.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.5 tpp85 -37.4 157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 74.7 m-20 63.04 39.19 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -146.27 -175.15 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 157.33 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 50.7 m95 -47.16 161.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.473 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 31.0 mtp180 -138.51 126.36 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.6 mm? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.17 -117.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.527 HG21 ' CG ' ' A' ' 56' ' ' HIS . 26.1 mt -144.74 137.69 13.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.79 157.27 60.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 13.7 t -71.93 155.46 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.57 -24.99 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.55 -74.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 p -72.11 -27.27 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 5.8 mmmm 68.0 44.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -82.42 122.57 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.91 123.39 5.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.687 0.756 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 168.98 65.66 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.352 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 16.7 mt -95.21 114.56 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.14 -56.6 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -58.79 177.71 1.94 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' GLY . 7.1 mmtm -49.83 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.4 m -118.46 100.11 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -94.87 154.4 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -156.95 132.14 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -77.13 115.53 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.8 p -80.79 0.76 33.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -109.71 -25.84 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.7 m -98.73 -173.98 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 54' ' ' GLU . 44.1 mm -116.57 140.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 53' ' ' ILE . 17.1 pt-20 39.0 44.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CZ ' ' ND1' ' A' ' 67' ' ' HIS . 3.1 t80 -112.69 128.47 56.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.527 ' CG ' HG21 ' A' ' 32' ' ' ILE . 1.5 m80 -149.52 135.96 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.6 mt -125.34 171.01 10.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.7 p -111.04 142.74 42.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' CYS . 25.6 tp60 -34.9 -38.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -58.87 -64.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -53.72 -44.39 69.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -48.08 -43.55 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.62 -28.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -64.36 -18.63 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 11.6 m-85 59.62 53.7 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.442 ' N ' HD13 ' A' ' 68' ' ' LEU . 13.6 m -103.83 -67.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.539 ' ND1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t60 -92.09 -13.06 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.572 ' HG ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -47.61 -17.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 67' ' ' HIS . 42.1 m -53.15 -43.96 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -75.62 173.23 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.9 m -76.48 101.77 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -104.88 163.49 12.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -145.19 142.42 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CE1' ' HD2' ' A' ' 83' ' ' ARG . 28.0 p90 -107.89 155.27 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.57 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 27.7 mmm-85 -109.64 171.6 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 18.8 mt-10 -134.37 167.54 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -48.56 164.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' LYS . 10.7 mpt_? -38.61 160.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 3.2 m120 62.63 38.37 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.508 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 10.9 mm-40 -144.37 -176.32 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -150.34 159.56 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 97.0 m95 -45.02 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.573 ' HD2' ' CE1' ' A' ' 74' ' ' PHE . 21.9 mtt-85 -151.29 132.59 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.4 mm? . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.89 -115.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.532 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 56' ' ' HIS . 18.9 mt -142.94 138.78 16.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.7 157.17 61.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.7 t -66.22 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.76 -6.54 42.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 57.6 t30 -103.86 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.84 -17.72 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 62.12 45.07 7.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -85.95 119.58 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.76 122.99 5.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.696 0.76 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 163.41 81.93 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.3 0.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -88.72 109.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -57.61 -57.28 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.46 -170.34 3.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -64.69 175.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.82 112.4 24.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.22 154.91 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -147.72 137.03 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 30.4 t -82.5 128.18 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 p -89.66 -1.28 57.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.64 -22.9 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.9 m -101.2 -174.35 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' GLU . 73.8 mt -119.11 142.32 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 38.05 39.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.692 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 6.4 t80 -109.36 128.96 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.549 ' CD2' HD12 ' A' ' 32' ' ' ILE . 1.9 m80 -146.83 131.42 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 36' ' ' ASN . 18.2 mt -116.31 169.2 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.1 p -110.47 143.62 40.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 18.1 tp60 -32.96 -38.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -63.06 -65.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 m -50.95 -41.11 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -50.07 -39.26 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.11 -28.22 67.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 m -54.31 -26.98 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.493 ' CG ' HD23 ' A' ' 68' ' ' LEU . 3.5 m-85 59.5 54.17 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.0 t -118.69 -47.33 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.692 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -88.93 -12.62 41.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD23 ' CG ' ' A' ' 65' ' ' TYR . 8.2 mp -42.77 -29.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -31.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -101.75 152.76 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 m -71.77 104.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.6 m-85 -95.06 170.79 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -145.62 131.38 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 p90 -106.03 140.33 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -106.83 -179.82 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -127.5 167.28 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' ARG . 49.3 pttt -48.55 163.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' LYS . 20.6 mmt85 -37.47 155.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.49 39.31 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -146.32 -175.1 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -143.97 153.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 86.6 m95 -46.64 161.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 28.1 mtt-85 -138.57 123.99 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.818 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.9 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.82 -117.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 56' ' ' HIS . 24.9 mt -143.94 132.86 11.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.657 0.741 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 160.06 51.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.4 t -66.26 153.13 43.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' HIS . 10.6 t-20 -96.02 -23.18 16.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.91 -74.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 p -74.72 -26.34 59.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 68.26 41.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -77.73 118.2 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -147.03 128.62 7.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.79 160.68 87.72 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.345 -0.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.6 mt -87.22 84.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -44.59 -47.64 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 43' ' ' GLU . . . -72.82 -172.24 21.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -62.26 177.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.408 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 11.0 t -120.3 133.3 55.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.2 m-85 -133.53 154.64 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 16.8 pttp -154.53 152.45 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 22.3 t -88.92 128.13 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 p -89.16 10.85 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -119.8 -27.56 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 -174.99 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mm -119.93 132.94 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 47.22 54.54 9.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -126.34 127.65 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 32' ' ' ILE . 16.3 m80 -148.31 133.43 18.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.88 -178.64 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' GLN . 30.4 p -125.3 147.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 tp60 -34.49 -38.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.5 -68.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.7 m -51.91 -29.1 18.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 27.6 t80 -68.07 -33.26 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.01 -29.47 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.3 t -78.66 -20.81 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.577 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 17.1 m-85 52.71 51.56 15.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.5 t60 -70.35 -12.15 61.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -41.52 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' HIS . 56.3 m -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.65 177.11 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -81.25 109.91 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -109.67 165.53 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 p -150.64 134.13 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.9 p90 -104.82 148.66 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -113.54 177.15 4.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 mm-40 -124.8 167.56 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.0 pttt -48.23 164.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.3 mpt_? -36.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 64.18 37.43 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -148.24 170.27 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 161.58 29.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 74.2 m95 -50.01 172.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 20.3 mtt-85 -152.84 134.71 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 31' ' ' GLY . 12.2 mt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.97 -116.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.529 HG21 ' CG ' ' A' ' 56' ' ' HIS . 18.6 mt -144.36 139.08 15.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.74 157.38 60.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.0 t -65.85 150.18 49.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' CG ' ' HA ' ' A' ' 55' ' ' TYR . 3.2 m120 -95.95 -10.48 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -71.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -81.22 -16.4 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -77.67 119.01 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.5 t80 -146.8 124.77 6.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.74 168.6 66.81 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.319 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.9 mt -95.08 91.05 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -43.92 -57.58 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.26 -173.83 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -59.74 178.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.06 134.47 54.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' A' ' 62' ' ' PHE . 3.2 m-85 -128.94 140.83 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -136.34 135.91 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 34.3 t -82.73 127.62 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -89.1 1.29 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -113.0 -23.9 9.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 m -99.2 -177.54 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 54' ' ' GLU . 81.3 mt -112.98 140.11 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.483 ' N ' HG22 ' A' ' 53' ' ' ILE . 14.1 pt-20 34.79 40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.793 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 12.4 t80 -109.01 129.91 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.529 ' CG ' HG21 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -149.27 134.37 18.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.839 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.4 mt -113.38 162.74 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -107.42 147.54 30.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' CYS . 31.4 tp60 -33.38 -41.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.51 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.9 m -54.64 -41.24 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 12.4 t80 -53.54 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -51.42 -28.65 13.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -57.45 -31.31 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.494 ' CB ' HD11 ' A' ' 68' ' ' LEU . 3.8 m-85 60.7 54.93 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -117.89 -63.0 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.793 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.6 t-160 -59.66 -10.54 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.494 HD11 ' CB ' ' A' ' 65' ' ' TYR . 12.7 mt -40.33 -37.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' LEU . 16.8 m -35.02 -41.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -93.9 165.78 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.5 m -82.33 112.57 19.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.8 m-85 -107.11 163.44 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 p -146.22 133.48 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.4 p90 -104.76 142.95 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 ptt180 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -126.87 167.15 16.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' ARG . 21.4 pttt -48.5 164.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.1 mmt85 -35.93 154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 77.8 m-20 64.29 39.57 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 79' ' ' ASN . 17.4 mm-40 -150.94 163.13 39.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -118.11 170.06 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.489 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 92.6 m95 -64.5 169.21 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.457 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 27.4 mtp180 -146.36 138.43 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.795 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.97 -117.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.516 HG22 ' CG ' ' A' ' 56' ' ' HIS . 20.1 mt -144.34 139.25 15.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.577 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.1 Cg_endo -69.81 160.22 50.5 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 17.3 t -68.01 152.67 45.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' HIS . 21.4 t-20 -94.82 -17.78 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -96.32 -73.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -74.21 -25.1 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.1 mmmp? 67.03 43.0 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.97 122.01 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.65 128.08 7.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.8 167.64 70.44 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.33 0.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 12.2 mt -94.2 88.65 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -49.55 -53.0 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.64 -175.99 7.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -55.75 172.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.34 104.5 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 7.6 m-85 -101.81 154.91 18.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.1 150.22 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 35.9 t -91.08 123.52 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -86.58 8.18 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -117.19 -26.38 6.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.4 m -95.89 -175.31 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -118.19 134.31 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 45.07 42.73 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.63 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 5.8 t80 -112.36 126.17 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.516 ' CG ' HG22 ' A' ' 32' ' ' ILE . 20.8 m80 -144.23 134.7 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.8 -179.12 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -126.06 154.51 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.472 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 8.1 tp60 -42.42 -37.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.32 -69.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.2 m -51.47 -34.3 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 27.7 t80 -60.55 -35.2 75.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.57 -29.09 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.4 t -76.71 -21.81 54.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.55 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 11.2 m-85 56.8 42.22 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 t -80.75 -62.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.63 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -73.59 -12.82 60.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 24.2 m -46.67 -35.62 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -94.14 -179.61 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -87.2 104.65 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.5 m-85 -102.65 169.81 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 p -153.69 136.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 13.1 p90 -104.88 147.18 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.571 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 6.1 mtm180 -101.92 179.23 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -134.35 167.91 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' ARG . 21.9 pttp -48.09 163.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 tpp85 -37.39 155.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 57.5 t30 65.1 43.65 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 79' ' ' ASN . 27.8 mm100 -147.96 -175.04 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 160.08 43.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.571 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.2 m95 -48.83 151.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.52 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 17.2 mtp85 -131.78 134.72 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.8 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.762 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 31' ' ' GLY . 55.9 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 31.27 -110.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 19.9 mt -142.2 138.81 17.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.77 165.49 30.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.8 t -64.36 155.64 31.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.695 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 3.2 t30 -95.44 -13.4 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -103.51 -73.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -83.37 4.06 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 35.6 mmtt 42.27 31.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -61.18 118.73 7.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -146.37 130.03 8.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.1 Cg_endo -69.76 169.42 63.4 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.296 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 20.5 mt -98.46 76.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -42.13 -54.37 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.89 -175.61 2.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -58.05 169.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.6 m -120.32 103.23 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 5.9 m-85 -97.15 152.58 18.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.953 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -141.23 133.07 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 20.7 t -76.95 127.02 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 p -90.94 7.0 42.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.59 -28.12 6.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.3 m -95.22 -174.47 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 37.3 mm -114.37 129.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 15.4 pt-20 45.56 41.73 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.695 ' CE2' ' ND2' ' A' ' 35' ' ' ASN . 4.6 t80 -105.34 126.84 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.422 ' NE2' HD11 ' A' ' 32' ' ' ILE . 3.9 m80 -141.85 134.19 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.49 HD13 ' CE2' ' A' ' 72' ' ' PHE . 21.1 mt -115.72 172.53 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.5 p -116.32 147.49 41.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.5 tp60 -35.46 -35.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.8 tt0 -65.19 -63.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.2 m -56.4 -27.47 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -70.51 -22.58 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.96 -22.06 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -78.02 -19.82 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.5 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 54.28 34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.38 -48.94 10.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.653 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -85.48 -11.43 54.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -42.18 -22.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -49.79 -20.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.69 149.15 38.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -68.57 106.82 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.49 ' CE2' HD13 ' A' ' 57' ' ' LEU . 3.4 m-85 -95.33 179.47 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.5 p -151.78 129.12 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 83' ' ' ARG . 30.6 p90 -104.68 157.73 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 3.2 mmm180 -101.19 172.06 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -125.83 166.78 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' ARG . 4.2 ptpp? -49.25 163.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.9 mmm180 -37.22 156.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.42 35.41 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -145.26 168.31 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 173.53 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 94.8 m95 -51.16 174.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.573 ' HG3' ' CE2' ' A' ' 74' ' ' PHE . 1.4 mmp_? -140.88 135.51 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.28 -114.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.554 HD12 ' CD2' ' A' ' 56' ' ' HIS . 17.3 mt -142.35 137.98 16.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 169.79 18.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 12.7 t -84.54 156.34 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.597 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.0 m-80 -96.44 -30.43 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.69 -75.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -72.33 -28.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 13.8 mmmt 68.56 42.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.408 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 tt0 -80.48 121.5 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.2 t80 -147.07 123.58 5.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 165.88 75.6 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.319 0.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 33' ' ' PRO . 16.9 mt -92.28 107.82 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.58 -57.26 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.38 -169.75 3.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -58.35 175.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.15 93.63 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 16.7 m-85 -84.18 147.82 27.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -141.14 136.43 31.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.3 t -85.42 124.14 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 p -86.98 5.64 36.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.59 -24.6 7.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 12.4 m -98.62 -179.57 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.0 138.92 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 39.6 42.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.785 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 21.7 t80 -117.28 131.63 56.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.597 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.6 m80 -149.12 136.51 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 mt -113.81 162.69 16.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.4 p -109.58 148.02 32.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' CYS . 24.0 tp60 -33.47 -43.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -62.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.0 m -54.14 -32.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -58.5 -42.11 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -24.95 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -59.87 -35.21 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.531 ' CG ' HD12 ' A' ' 68' ' ' LEU . 3.7 m-85 62.2 54.93 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.5 m -118.97 -65.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.785 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -58.22 -11.46 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.531 HD12 ' CG ' ' A' ' 65' ' ' TYR . 31.9 mt -41.13 -36.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.5 m -35.99 -36.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -98.36 164.9 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.3 m -79.6 108.14 12.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 5.4 m-85 -105.25 166.51 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 p -152.75 141.99 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 2.4 p90 -105.03 140.33 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.602 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -105.11 144.09 32.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -85.3 167.22 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' ARG . 19.4 pttm -48.67 164.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 18.6 mmt85 -37.3 157.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 63.42 36.64 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.8 -176.63 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -133.33 163.08 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.602 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 75.1 m95 -50.75 169.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 8.4 mmm180 -141.72 153.2 44.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' GLY . 20.7 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.865 0.364 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.45 -111.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 56' ' ' HIS . 19.4 mt -144.17 139.5 15.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.7 165.32 31.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.4 t -75.56 152.31 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.592 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.4 m-80 -95.47 -21.35 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -91.04 -74.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 p -74.2 -27.18 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 4.2 mmmm 68.81 43.48 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -83.72 122.63 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -147.0 126.67 6.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.694 0.759 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 168.56 66.95 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.352 -0.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.422 HD11 ' C ' ' A' ' 33' ' ' PRO . 26.5 mt -95.49 83.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -43.53 -46.9 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLU . . . -71.21 175.94 38.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -52.21 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.474 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 96.8 m -120.23 139.39 52.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 2.0 m-85 -136.56 149.86 48.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.3 ptmm? -145.15 148.87 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.1 t -90.56 117.19 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -80.59 10.31 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -120.05 -28.51 5.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.0 m -96.18 -174.73 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -119.22 138.18 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 42.03 54.49 4.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 8.0 t80 -127.28 132.95 50.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.592 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 14.8 m80 -149.29 135.67 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -112.62 178.44 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLU . 29.7 p -124.15 145.4 49.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' CYS . 27.2 tp60 -34.1 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -62.8 -69.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.5 m -51.37 -28.36 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 23.3 t80 -65.01 -30.28 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -28.63 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.5 m -80.6 -16.09 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 7.6 m-85 51.12 47.29 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.22 -63.8 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.648 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -76.71 -12.17 59.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 62' ' ' PHE . 1.2 mm? -42.06 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' HIS . 69.2 m -47.1 -26.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -104.02 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 m -85.47 102.09 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.4 m-85 -101.54 165.77 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -145.44 132.16 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.535 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 2.8 p90 -105.11 146.01 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.0 ptt180 -111.51 -179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.6 mm-40 -131.77 169.71 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 1.9 pptp? -46.55 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.5 tpt180 -39.12 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 63.0 t30 67.78 28.47 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 26.6 mm100 -136.41 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -146.42 152.24 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 87.8 m95 -47.44 163.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 6.9 mtp85 -143.4 141.32 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' GLY . 84.3 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.12 -112.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 56' ' ' HIS . 19.7 mt -143.82 139.56 16.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.79 158.06 58.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 13.4 t -65.42 146.04 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -94.4 -5.42 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -104.33 -71.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -80.07 -20.76 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 34.4 mmtm 66.74 42.7 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -83.66 119.92 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -145.79 127.66 7.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 164.86 78.22 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 -1.809 . . . . 0.0 112.34 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 23.4 mt -91.37 82.98 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -42.53 -50.26 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.77 -174.65 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 76' ' ' GLU . 9.4 mmtt -60.05 170.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.432 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 92.7 m -115.22 111.64 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.8 m-85 -100.54 154.32 18.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 12.6 ttpt -144.51 133.95 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 44.5 t -81.6 124.73 29.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.4 p -88.34 11.76 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.5 -26.72 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 67.4 m -98.57 -174.61 2.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.03 130.09 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 50.43 38.86 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.607 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 4.9 t80 -107.58 130.39 54.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' A' ' 32' ' ' ILE . 4.1 m80 -147.03 132.58 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 mt -113.87 166.07 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLU . 27.5 p -110.94 147.81 33.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.0 tp60 -35.69 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' CYS . 9.3 tt0 -68.44 -68.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.8 m -50.99 -26.54 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.67 -29.96 67.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -60.82 -27.04 67.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 p -73.11 -17.97 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 51.55 39.81 25.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.11 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t60 -71.0 -11.42 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -41.78 -24.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -47.26 -26.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -109.86 150.24 28.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 m -66.58 101.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.477 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.2 m-85 -92.55 170.9 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -146.12 137.83 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 14.9 p90 -104.85 157.84 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.603 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -121.11 135.61 55.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 45' ' ' LYS . 37.3 mt-10 -81.86 166.8 19.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.4 pttm -49.16 164.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 16.0 mmt85 -37.63 155.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 67.33 33.65 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -144.75 171.95 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -124.45 170.88 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.603 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 21.3 m95 -69.64 170.92 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.634 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 5.7 ptp180 -175.4 140.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 31' ' ' GLY . 59.8 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.849 0.356 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 31.47 -106.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 12.8 mt -142.41 138.48 16.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.604 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 166.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.1 t -79.61 152.91 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.74 -28.6 14.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -83.26 -75.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.8 p -72.53 -28.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 16.8 mmmt 69.71 41.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 65.5 tt0 -82.35 121.04 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -147.06 124.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.7 168.55 66.84 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.383 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.7 mt -94.66 136.0 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -92.8 -47.84 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 178.3 20.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -51.69 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.86 108.36 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -109.08 145.28 35.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.492 ' HD2' ' CH2' ' A' ' 82' ' ' TRP . 9.2 ptmt -150.05 131.54 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 16.0 t -73.51 129.2 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 p -90.02 2.98 54.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -112.74 -31.48 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.3 m -88.92 -174.78 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -115.34 134.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.44 43.1 2.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.657 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 4.2 t80 -105.48 128.68 53.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CG ' HG22 ' A' ' 32' ' ' ILE . 5.8 m80 -146.26 129.14 16.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.98 167.37 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -111.65 142.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -33.82 -40.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -59.25 -58.82 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 m -58.22 -41.55 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CD1' HD11 ' A' ' 68' ' ' LEU . 24.9 t80 -49.78 -45.72 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 2.9 t0 -51.72 -23.78 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -61.24 -31.83 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . 4.3 m-85 63.73 51.07 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 73.8 m -112.83 -56.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.657 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t-160 -83.14 -13.24 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 65' ' ' TYR . 7.7 mp -42.43 -33.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -83.28 162.29 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.5 m -75.3 108.38 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.5 m-85 -106.18 160.75 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 p -135.96 127.2 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 11.1 p90 -105.16 144.52 31.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 7.2 mtm180 -101.26 -179.84 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -132.72 167.82 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 21.0 pttp -48.13 164.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mmt180 -37.08 155.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 63.9 46.77 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 13.5 mm-40 -150.0 -176.61 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -146.64 155.59 42.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.9 m95 -43.32 161.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 22.7 mtp85 -140.73 127.13 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.81 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.545 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 12.2 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.85 -102.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.587 HD11 ' CD2' ' A' ' 56' ' ' HIS . 17.7 mt -143.48 138.92 15.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.77 165.74 29.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.361 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 23.1 t -69.8 156.63 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -96.99 -18.44 19.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.92 -74.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.31 4.24 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 23.4 mmtm 43.29 28.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -57.09 117.73 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.89 129.38 7.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.73 169.27 64.05 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.313 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 23.8 mt -97.11 75.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -40.67 -57.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.93 173.89 7.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -47.16 169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -120.47 122.52 40.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 2.6 m-85 -119.86 153.49 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.522 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.0 ptmm? -147.19 144.23 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 38.5 t -82.98 127.09 33.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -92.38 10.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -118.83 -27.08 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.04 -175.02 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.9 mm -116.73 132.22 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 45.05 51.82 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -120.63 132.4 55.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.587 ' CD2' HD11 ' A' ' 32' ' ' ILE . 31.3 m80 -147.82 140.82 24.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 mt -121.27 175.7 6.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.5 p -121.74 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.4 tp60 -36.56 -41.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.55 -67.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 m -50.68 -31.21 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 30.8 t80 -66.11 -33.88 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.53 -25.65 38.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -81.87 -16.09 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 48.41 45.16 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.15 -62.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.3 t60 -73.68 -12.23 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -42.0 -23.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 61.6 m -44.35 -27.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -103.69 175.67 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 m -81.84 108.05 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -106.76 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -147.45 131.59 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.601 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 8.8 p90 -104.87 144.05 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 9.1 mtt180 -101.59 177.76 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -132.05 168.71 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -46.86 163.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.6 tpt85 -39.67 152.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 47.4 t30 70.46 34.18 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 21.4 mm100 -140.8 -175.09 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 82' ' ' TRP . 23.8 mmmt -145.38 159.9 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 96.4 m95 -43.94 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.601 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 7.8 mmt85 -140.75 145.04 35.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.776 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.0 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 15.92 -113.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.513 HG22 ' CG ' ' A' ' 56' ' ' HIS . 21.1 mt -142.79 137.76 15.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.72 154.45 67.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 8.4 t -67.48 149.34 50.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 4.3 t30 -95.56 -15.74 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -95.12 -73.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.1 p -77.08 -24.6 51.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 39.0 mmtt 70.09 40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 24.0 tt0 -81.54 118.28 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.8 t80 -146.6 127.24 7.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.463 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 168.31 67.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mt -99.41 102.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.87 -39.77 95.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.63 -176.34 39.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.67 175.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -120.73 100.23 6.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -94.5 152.49 18.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 32.0 ttmt -146.81 140.46 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 t -87.82 131.19 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -91.08 3.64 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -114.44 -25.89 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 m -95.84 -175.02 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -116.08 134.18 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 41.66 41.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.672 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 5.4 t80 -104.54 132.16 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 1.9 m80 -149.33 129.21 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.9 mt -112.49 154.72 25.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.1 p -99.6 148.55 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.1 tp60 -35.95 -41.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.7 m -56.11 -42.87 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.88 -39.56 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.06 -27.13 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -61.48 -30.2 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.549 ' CD2' HD12 ' A' ' 68' ' ' LEU . 4.0 m-85 58.3 55.06 5.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -115.26 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.672 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -61.48 -10.35 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD12 ' CD2' ' A' ' 65' ' ' TYR . 9.9 mt -40.3 -34.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' LEU . 24.3 m -37.07 -43.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -93.33 168.36 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.2 m -84.47 111.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -104.91 167.3 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -150.62 138.74 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 5.4 p90 -104.78 149.21 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 1.4 ptp85 -109.23 -179.29 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.515 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.2 mt-10 -134.13 168.69 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 1.8 mtmp? -47.6 164.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 10.9 mpt_? -37.05 156.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 80' ' ' GLN . 16.2 t-20 64.37 42.23 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.515 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 28.4 mm-40 -146.33 -179.21 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -145.39 153.22 40.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.41 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 55.8 m95 -46.24 173.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.587 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -172.8 136.41 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.812 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.1 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.31 -119.64 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.52 HG21 ' CG ' ' A' ' 56' ' ' HIS . 22.1 mt -145.33 138.36 14.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.68 155.31 66.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 13.0 t -69.71 153.99 42.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -95.93 -27.4 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -86.14 -74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.1 p -71.94 -28.96 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 22.1 mmtp 68.66 46.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.3 tt0 -87.67 121.13 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.7 126.29 6.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.707 0.765 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 167.19 72.08 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.32 0.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 44.6 mt -93.69 109.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.77 -57.52 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.28 -179.38 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -54.95 -179.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -119.5 125.76 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.493 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 2.2 m-85 -123.48 152.12 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 82' ' ' TRP . 17.1 pttt -152.32 145.17 24.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 49.4 t -83.38 120.13 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 p -81.14 7.56 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -114.3 -31.65 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -95.02 -174.53 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -122.26 133.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 51.83 48.0 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 7.9 t80 -125.41 105.97 9.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CG ' HG21 ' A' ' 32' ' ' ILE . 7.1 m80 -130.01 132.66 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.81 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.23 -178.77 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.9 p -120.25 147.17 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.493 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 18.1 tp60 -34.38 -41.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.48 -69.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.7 m -47.69 -44.32 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 13.4 t80 -48.65 -39.12 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.42 -34.07 60.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 t -63.53 -23.46 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 68' ' ' LEU . 5.5 m-85 61.37 31.23 19.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.01 -75.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.409 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.3 t60 -76.73 -12.91 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 65' ' ' TYR . 4.5 tt -42.39 -25.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -43.36 -43.66 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -82.26 166.22 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 m -70.0 112.92 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.0 m-85 -111.03 163.47 13.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.3 p -146.3 133.58 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 5.6 p90 -104.7 152.59 22.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.574 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -115.15 176.39 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.6 mt-10 -126.08 169.32 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 16.8 mttp -46.77 163.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 11.8 tpp180 -37.73 158.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.467 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 3.3 m-20 63.24 39.8 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 7.0 mm-40 -143.26 -175.2 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -143.84 151.02 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 73.2 m95 -47.74 162.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 13.5 mtp180 -142.21 132.05 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.794 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 41' ' ' PRO . 3.7 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.95 -104.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.56 HD12 ' CD2' ' A' ' 56' ' ' HIS . 17.8 mt -141.46 140.14 20.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.0 Cg_endo -69.85 169.94 17.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 12.2 t -81.88 154.43 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.4 m-80 -96.72 -28.73 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -83.61 -74.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.5 p -73.37 -28.45 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 18.2 mmmt 68.71 43.43 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' NE2' ' OE2' ' A' ' 43' ' ' GLU . 11.8 tt0 -82.9 119.53 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.68 127.52 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 164.6 78.98 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 0.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 33' ' ' PRO . 18.1 mt -91.6 124.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 44' ' ' GLY . 3.2 pm0 -89.08 -32.63 17.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.488 ' N ' ' HG2' ' A' ' 43' ' ' GLU . . . -85.22 173.1 48.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -46.78 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.8 t -114.69 111.19 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 40.2 m-85 -109.26 152.84 24.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.2 tttm -142.75 141.87 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 33.9 t -84.2 117.79 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 p -81.38 2.81 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.39 -25.34 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.7 m -100.34 -175.05 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.0 mt -120.41 137.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 45.2 54.98 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -127.19 133.96 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.56 ' CD2' HD12 ' A' ' 32' ' ' ILE . 14.1 m80 -149.61 135.81 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.426 HD12 ' CE2' ' A' ' 72' ' ' PHE . 16.3 mt -118.72 166.25 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' GLN . 25.7 p -112.64 150.45 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.1 tp60 -37.35 -42.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.54 -64.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -54.42 -36.22 63.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CZ ' HD12 ' A' ' 68' ' ' LEU . 23.4 t80 -60.34 -32.56 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.68 -28.83 61.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -77.65 -25.21 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 16.1 m-85 57.83 44.18 20.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -81.38 -65.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 t60 -72.17 -12.04 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -41.46 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' HIS . 48.6 m -45.09 -30.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -99.55 172.33 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.6 m -80.06 101.99 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.6 m-85 -99.7 169.81 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -153.76 138.78 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 19.4 p90 -104.67 146.09 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.587 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -100.71 179.94 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' A' ' 75' ' ' ARG . 49.3 mt-10 -132.97 166.81 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.41 162.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -38.46 155.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 65.88 35.8 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -145.17 173.44 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.23 158.04 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 70.6 m95 -47.76 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 26.4 mtp180 -147.79 144.19 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.835 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 31' ' ' GLY . 2.3 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 30.7 -112.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.515 HG22 ' CG ' ' A' ' 56' ' ' HIS . 21.4 mt -143.25 138.49 15.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.577 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.76 165.25 31.61 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 11.6 t -73.29 150.97 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.7 -13.24 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 11.7 t30 -98.31 -73.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.29 -18.51 55.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 36' ' ' ASN . 1.4 mptp? 62.61 40.45 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -78.79 119.93 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.28 126.18 6.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 164.64 78.67 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.386 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 33' ' ' PRO . 22.1 mt -89.66 93.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.61 -57.21 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.8 -168.85 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' NZ ' ' HA ' ' A' ' 76' ' ' GLU . 6.8 mmtt -63.69 179.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.8 m -118.63 107.59 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.9 m-85 -97.16 154.99 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.651 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -156.42 137.0 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.9 t -80.9 128.05 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 p -89.91 5.86 44.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.22 -26.0 7.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -94.64 -175.67 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 mm -119.77 132.2 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 48.6 49.07 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.462 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 4.8 t80 -119.53 127.91 53.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.515 ' CG ' HG22 ' A' ' 32' ' ' ILE . 20.6 m80 -146.33 132.07 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.3 mt -119.41 168.57 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 60' ' ' GLU . 26.8 p -113.38 144.7 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' CYS . 22.1 tp60 -33.36 -34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 6.2 tt0 -65.92 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.64 -28.42 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.709 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 25.3 t80 -62.58 -39.63 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.57 -18.42 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -65.6 -27.72 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CD1' HD21 ' A' ' 68' ' ' LEU . 3.3 m-85 58.97 53.93 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 t -115.61 -45.23 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t60 -95.28 -13.64 24.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 65' ' ' TYR . 6.9 mp -43.28 -29.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -41.58 -46.02 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -81.43 168.14 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -79.73 110.59 15.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.8 m-85 -110.01 164.15 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.1 p -154.03 138.09 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 42.4 p90 -106.16 160.66 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.524 ' HG2' ' CD2' ' A' ' 82' ' ' TRP . 6.9 mmt180 -107.4 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.9 mp0 -134.61 167.78 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 12.5 pttp -48.1 163.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 2.0 tpp180 -38.07 156.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 64.91 43.06 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 15.5 mm-40 -147.75 176.29 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -147.08 148.03 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.651 ' CH2' ' CD ' ' A' ' 48' ' ' LYS . 97.0 m95 -34.38 151.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 54.2 mtp180 -131.16 132.4 44.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.6 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.805 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.31 -113.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.52 HG23 ' CG ' ' A' ' 56' ' ' HIS . 25.4 mt -141.79 139.52 18.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.82 164.45 34.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 14.3 t -75.16 148.2 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -94.35 -10.79 31.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 1.1 t30 -100.65 -72.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.9 p -77.12 -24.86 51.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 42.3 mmtt 69.17 42.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -83.92 121.48 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.67 127.45 7.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 166.41 74.14 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.379 -0.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.424 HD13 ' C ' ' A' ' 33' ' ' PRO . 12.2 mt -91.72 105.86 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.81 -57.22 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.78 179.39 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -52.76 179.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -119.94 112.98 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 53.9 m-85 -115.33 148.14 39.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 21.6 pttt -146.21 141.62 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 37.8 t -78.8 126.8 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.9 p -87.96 5.56 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -115.61 -26.58 7.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -94.7 -173.77 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' GLU . 48.0 mm -115.13 138.42 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ILE . 17.3 pt-20 37.03 39.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 5.0 t80 -104.97 119.64 39.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CG ' HG23 ' A' ' 32' ' ' ILE . 7.0 m80 -140.71 131.4 25.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 36' ' ' ASN . 25.5 mt -112.58 -178.52 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.1 p -123.64 145.28 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.7 tp60 -33.85 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.29 -61.88 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 m -57.37 -39.46 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.98 -37.49 69.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.95 -37.6 66.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -65.13 -11.1 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 52.41 34.11 14.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 86.5 m -74.01 -75.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.1 t60 -75.22 -12.87 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 65' ' ' TYR . 3.1 tt -42.44 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' HIS . 66.5 m -45.51 -44.68 12.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -82.73 162.33 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -69.02 108.53 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.1 m-85 -106.53 157.64 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 128.96 34.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 1.4 p90 -106.36 140.06 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.54 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -103.72 176.38 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -110.69 169.42 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 2.7 ptpp? -46.09 164.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 13.1 tpt180 -36.99 156.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.1 t-20 59.84 45.47 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mm100 -148.72 -175.78 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 2.8 mmmp? -127.71 -178.41 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 48' ' ' LYS . 93.3 m95 -75.97 170.9 15.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.459 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 24.2 mtp85 -144.54 129.36 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.787 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' CD2' ' H ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 39.26 -101.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 56' ' ' HIS . 19.8 mt -143.44 139.68 16.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.6 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.68 159.19 54.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.373 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 11.6 t -67.55 152.42 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -95.99 -23.51 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -88.21 -74.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.7 p -74.01 -27.32 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 20.7 mmmt 68.89 43.19 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 9.0 tt0 -83.53 123.0 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 2.0 t80 -146.95 125.5 6.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.71 167.89 69.25 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.371 -0.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.43 84.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -39.77 -57.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.68 -174.04 7.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -58.2 168.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.13 106.79 13.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.42 153.07 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -144.64 122.74 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 48.8 t -66.56 126.24 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -90.57 4.11 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -111.26 -24.83 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 m -101.33 -174.74 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.64 137.4 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 48.09 42.95 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -121.68 127.99 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -145.13 133.55 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 mt -114.83 165.88 12.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.8 p -112.31 149.03 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.7 tp60 -33.79 -44.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.17 -67.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -50.35 -38.95 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -54.57 -36.97 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -61.31 -21.46 63.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 t -64.7 -28.22 69.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HD21 ' A' ' 68' ' ' LEU . 5.5 m-85 57.95 50.7 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.13 -50.27 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -89.89 -12.37 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 65' ' ' TYR . 9.4 mp -42.59 -25.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -36.65 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -92.18 158.42 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 m -74.8 107.63 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.2 m-85 -98.55 176.29 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -151.54 134.68 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -111.26 148.52 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.525 ' HG3' ' CD2' ' A' ' 82' ' ' TRP . 13.0 mtt180 -101.84 172.6 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.16 168.31 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ARG . 24.6 pttt -47.97 163.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 12.7 tpp180 -36.54 155.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.8 m-80 63.91 42.55 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -149.91 -175.07 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 159.51 44.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.525 ' CD2' ' HG3' ' A' ' 75' ' ' ARG . 82.8 m95 -39.37 155.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -142.13 128.0 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -147.76 162.73 38.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 119.29 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.79 94.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 127.72 32.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -60.88 177.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.98 -89.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp 66.35 40.11 3.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.755 0.312 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -171.08 129.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -115.51 108.04 15.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -146.59 176.33 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.78 40.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.16 131.94 45.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -56.1 177.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -149.76 150.51 32.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.79 104.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -148.03 150.0 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.92 124.86 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.23 143.84 44.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.8 159.18 26.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.41 102.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.79 151.1 47.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -87.83 80.72 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -175.08 135.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' CG ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -46.32 111.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -108.62 -32.29 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -131.56 165.14 24.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.99 39.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -117.13 28.99 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' CG ' ' HG3' ' A' ' 25' ' ' ARG . 4.1 mm? -67.66 -42.31 82.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.43 -104.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.566 HD13 ' CD2' ' A' ' 56' ' ' HIS . 15.4 mt -139.98 139.16 20.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 162.58 41.56 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 18.1 t -71.31 152.35 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.59 -16.55 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -95.18 -73.74 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.3 p -77.47 -24.78 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 3.3 mmmm 70.33 37.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -72.96 120.01 18.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.7 t80 -146.74 125.11 6.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.77 168.69 66.64 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.316 0.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 25.7 mt -95.8 77.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.37 -46.49 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.87 -179.67 25.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.63 173.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -120.25 116.02 24.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -115.93 154.91 28.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 10.0 ptmm? -149.8 147.59 28.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 36.1 t -88.03 124.43 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -89.04 15.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -123.14 -27.83 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.47 -175.52 3.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.7 mm -118.0 129.97 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 49.19 51.21 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.555 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 12.0 t80 -122.36 129.61 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' A' ' 32' ' ' ILE . 24.5 m80 -144.85 141.08 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.2 mt -121.12 174.81 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 p -121.53 158.58 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -44.56 -38.66 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -61.39 -67.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.9 m -53.38 -31.12 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 24.5 t80 -65.71 -34.27 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -56.96 -23.59 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -83.89 -16.82 42.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 8.6 m-85 52.13 40.58 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.89 -59.83 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.555 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -78.1 -12.82 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -42.51 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 52.9 m -46.8 -33.3 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -97.01 172.42 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 m -78.8 102.98 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.9 m-85 -102.33 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -148.02 131.92 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 11.8 p90 -105.0 150.72 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 mtm180 -101.47 179.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -131.74 167.82 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.4 pttm -48.18 161.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 77' ' ' LYS . 9.1 mmt180 -35.34 153.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 5.9 m-20 64.42 43.15 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 79' ' ' ASN . 24.0 mm100 -150.21 166.87 28.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.98 158.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 92.7 m95 -43.83 165.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.567 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 11.8 mtp180 -144.03 144.92 31.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 m -81.54 115.98 21.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.01 156.69 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -84.35 158.76 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -75.92 51.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -75.78 86.51 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.81 93.13 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' VAL . 17.6 t70 -75.55 -56.99 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -42.78 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.3 p -123.96 -20.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.4 m -55.57 -57.48 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.73 84.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 96' ' ' SER . 54.1 Cg_endo -69.79 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 95' ' ' PRO . 4.3 m -32.01 -44.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -127.96 -68.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.505 -179.985 . . . . . . . . 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 -0.324 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -148.36 156.19 42.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 p -125.63 167.64 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.01 173.62 22.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -172.04 177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -167.2 172.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.13 116.03 0.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.18 170.86 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.51 149.5 41.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.05 166.64 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -123.97 179.26 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -166.56 151.15 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -155.5 168.34 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -167.38 177.86 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.0 p -160.69 175.14 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.99 148.85 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' C ' HG22 ' A' ' 18' ' ' VAL . 5.9 tt -134.74 106.98 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 17' ' ' LEU . 97.5 t -142.26 126.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.17 146.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.45 152.53 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.61 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -100.79 99.19 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 41.02 48.75 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -129.5 121.82 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 3.0 ppt_? -121.67 -174.95 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -99.73 152.36 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.03 44.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.64 -57.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 18.3 p-80 -134.98 78.98 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.9 mt -65.56 -42.14 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.7 -117.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.532 HD11 ' CD2' ' A' ' 56' ' ' HIS . 27.5 mt -144.9 135.79 12.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.78 158.18 57.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 15.8 t -66.56 152.84 44.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.35 -21.24 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.15 -73.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.7 p -73.47 -26.81 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 47.5 mmtt 68.55 42.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.2 tt0 -82.76 123.59 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.81 127.01 6.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 169.08 65.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.296 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.415 HD11 ' C ' ' A' ' 33' ' ' PRO . 20.7 mt -95.03 82.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -41.56 -52.88 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.89 -174.47 8.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -60.31 175.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.0 t -119.88 126.78 51.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 2.3 m-85 -117.54 153.9 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.3 ttpp -142.25 140.23 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 40.3 t -88.66 121.24 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 p -84.59 10.63 10.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -120.21 -26.97 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.5 m -97.19 -174.68 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.5 mm -112.18 130.94 64.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 40.84 43.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.577 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 7.2 t80 -105.47 133.99 49.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.532 ' CD2' HD11 ' A' ' 32' ' ' ILE . 4.5 m80 -147.49 144.59 28.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.6 mt -124.22 168.68 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.2 p -113.47 146.23 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -34.89 -38.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.33 -66.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.5 m -50.56 -35.13 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CZ ' HD12 ' A' ' 68' ' ' LEU . 27.8 t80 -63.18 -30.06 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.53 -25.23 62.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.3 t -84.07 -18.88 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 55.39 39.5 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.97 -60.07 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.577 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.7 t60 -75.49 -11.69 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -41.36 -28.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 m -42.5 -36.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -97.29 156.62 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -68.07 101.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -99.53 158.13 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -139.06 138.59 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CE1' ' CG ' ' A' ' 83' ' ' ARG . 4.5 p90 -106.53 154.45 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.576 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -101.43 179.07 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 18.5 mt-10 -130.06 166.49 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' ARG . 15.9 pttm -48.93 165.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 8.4 tpt180 -37.11 160.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.532 ' CG ' ' O ' ' A' ' 78' ' ' ARG . 10.9 p30 51.24 53.52 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.87 156.17 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.576 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 29.0 m95 -59.4 171.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' CG ' ' CE1' ' A' ' 74' ' ' PHE . 5.6 ptm180 -174.39 160.87 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -58.44 158.77 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.3 mt -100.6 158.94 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.85 119.29 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -55.14 107.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -132.76 94.62 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.92 79.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.03 178.25 6.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.02 134.05 36.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 p -128.76 137.51 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -114.89 142.41 46.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.82 92.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.45 14.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t -153.76 162.65 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 t -156.64 159.29 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -117.72 139.7 50.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -52.83 -50.42 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.46 -110.62 2.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -165.74 132.41 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -174.72 137.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.71 -179.54 18.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -131.99 176.13 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.06 169.74 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -90.96 147.9 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.75 108.86 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -75.28 83.92 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -104.04 97.5 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.8 m -153.76 128.31 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 m -99.33 99.58 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.46 122.55 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 17' ' ' LEU . 4.2 mm? -80.25 105.82 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.4 p -89.65 154.0 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.36 153.73 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.71 111.55 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 166.33 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -120.56 -59.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.91 145.81 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.43 104.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.93 157.69 24.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -103.43 86.15 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 3.3 t70 -49.43 -48.78 47.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -31.15 -53.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -132.27 92.81 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.9 mt -96.01 -41.34 8.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 36.71 -116.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 56' ' ' HIS . 20.3 mt -143.83 139.32 16.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.77 158.1 58.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 11.9 t -69.01 151.25 46.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.57 -12.65 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.94 -72.81 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.9 p -76.45 -22.3 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.8 mmmp? 67.16 40.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -76.79 119.69 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.94 124.98 6.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.76 168.03 68.94 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.38 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 13.1 mt -95.15 105.31 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -66.24 -49.99 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.33 -178.83 16.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -54.97 173.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 111.13 17.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.6 m-85 -107.02 153.79 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 28.0 tttm -142.43 144.24 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 46.6 t -88.15 118.49 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 p -82.47 9.89 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -119.06 -26.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -98.61 -174.85 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -119.49 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 50.4 52.24 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -123.58 131.04 53.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 32' ' ' ILE . 10.4 m80 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.484 HD13 ' CE2' ' A' ' 72' ' ' PHE . 15.9 mt -113.04 170.6 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.4 p -117.07 146.54 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 6.7 tp60 -34.67 -37.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.98 -68.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.8 m -51.46 -32.52 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 35.1 t80 -64.23 -30.47 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 t -82.48 -22.31 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 7.7 m-85 56.51 43.44 25.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.5 -57.95 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.1 t60 -80.71 -12.34 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -42.05 -23.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' HIS . 55.9 m -44.69 -32.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -96.92 176.76 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 m -84.91 102.24 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.2 m-85 -99.59 170.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -152.77 137.77 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 5.8 p90 -104.98 142.56 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.6 OUTLIER -102.9 -179.68 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -128.29 167.43 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.1 pttm -48.28 164.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.5 tpp85 -37.4 157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 74.7 m-20 63.04 39.19 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -146.27 -175.15 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 157.33 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 50.7 m95 -47.16 161.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.473 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 31.0 mtp180 -138.51 126.36 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -67.94 106.43 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.78 156.36 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.76 157.83 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -60.91 106.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -61.81 174.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.58 106.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -142.3 128.93 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.23 171.94 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.53 150.67 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -163.91 146.69 9.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.43 -85.92 0.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.555 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 105.24 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -77.81 149.58 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t -106.57 143.76 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.459 179.984 . . . . . . . . 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 -0.361 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t -127.32 127.34 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m -129.99 177.31 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.18 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -152.19 177.49 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.826 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -154.01 161.88 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.12 -152.36 10.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.59 179.49 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -127.32 169.83 13.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -99.76 150.09 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.88 177.4 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -104.75 165.09 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -65.77 174.75 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -119.01 178.43 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -63.7 173.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -106.58 174.5 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -129.9 160.91 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -130.13 144.39 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.1 166.18 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.13 148.56 37.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.48 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -137.5 161.43 36.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -46.36 117.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -117.31 99.75 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -137.35 108.97 6.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD2' ' OD1' ' A' ' 27' ' ' ASP . 6.5 tt -113.59 -67.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' OD1' ' CD2' ' A' ' 26' ' ' LEU . 2.2 m-20 -59.79 147.46 38.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -83.4 33.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 3.1 t60 -134.96 89.42 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.6 mm? -67.28 -41.76 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.17 -117.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.527 HG21 ' CG ' ' A' ' 56' ' ' HIS . 26.1 mt -144.74 137.69 13.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.79 157.27 60.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 13.7 t -71.93 155.46 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.57 -24.99 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.55 -74.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 p -72.11 -27.27 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 5.8 mmmm 68.0 44.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -82.42 122.57 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.91 123.39 5.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.687 0.756 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 168.98 65.66 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.352 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 16.7 mt -95.21 114.56 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.14 -56.6 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -58.79 177.71 1.94 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' GLY . 7.1 mmtm -49.83 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 29' ' ' HIS . 82.4 m -118.46 100.11 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -94.87 154.4 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -156.95 132.14 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -77.13 115.53 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.8 p -80.79 0.76 33.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -109.71 -25.84 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.7 m -98.73 -173.98 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 54' ' ' GLU . 44.1 mm -116.57 140.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 53' ' ' ILE . 17.1 pt-20 39.0 44.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CZ ' ' ND1' ' A' ' 67' ' ' HIS . 3.1 t80 -112.69 128.47 56.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.527 ' CG ' HG21 ' A' ' 32' ' ' ILE . 1.5 m80 -149.52 135.96 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.6 mt -125.34 171.01 10.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.7 p -111.04 142.74 42.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' CYS . 25.6 tp60 -34.9 -38.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -58.87 -64.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -53.72 -44.39 69.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -48.08 -43.55 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.62 -28.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -64.36 -18.63 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 11.6 m-85 59.62 53.7 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.442 ' N ' HD13 ' A' ' 68' ' ' LEU . 13.6 m -103.83 -67.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.539 ' ND1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t60 -92.09 -13.06 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.572 ' HG ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -47.61 -17.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 67' ' ' HIS . 42.1 m -53.15 -43.96 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -75.62 173.23 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.9 m -76.48 101.77 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -104.88 163.49 12.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -145.19 142.42 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CE1' ' HD2' ' A' ' 83' ' ' ARG . 28.0 p90 -107.89 155.27 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.57 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 27.7 mmm-85 -109.64 171.6 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 18.8 mt-10 -134.37 167.54 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -48.56 164.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' LYS . 10.7 mpt_? -38.61 160.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 3.2 m120 62.63 38.37 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.508 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 10.9 mm-40 -144.37 -176.32 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -150.34 159.56 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.57 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 97.0 m95 -45.02 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.573 ' HD2' ' CE1' ' A' ' 74' ' ' PHE . 21.9 mtt-85 -151.29 132.59 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.4 p -74.03 121.96 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 mt -73.5 146.68 44.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -67.26 134.5 51.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.03 112.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -146.74 110.35 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.75 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.475 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.7 OUTLIER 45.38 43.26 8.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -123.54 136.09 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.5 t -93.67 148.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 t -55.93 148.03 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 162.31 -145.36 10.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 164.72 33.42 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.8 m -95.46 104.08 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 t -56.51 -60.71 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -102.45 156.51 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -145.96 147.57 31.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.27 133.6 1.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -70.61 95.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -76.22 -35.19 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.5 49.93 17.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -147.6 127.8 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -168.95 124.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.05 154.28 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -119.61 85.83 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -166.36 120.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -169.72 120.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.4 p -162.25 105.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -168.53 138.31 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.87 160.44 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.05 149.71 26.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.76 83.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.94 147.43 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.23 160.57 14.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.67 159.7 24.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -150.72 157.87 43.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -127.35 89.31 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -172.85 136.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 175.35 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -159.9 157.76 29.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.3 t70 63.67 32.55 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.9 OUTLIER 32.45 35.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' ASP . 45.8 t60 -100.78 68.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.4 mm? -83.63 -41.98 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.89 -115.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.532 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 56' ' ' HIS . 18.9 mt -142.94 138.78 16.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.7 157.17 61.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.7 t -66.22 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.76 -6.54 42.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 57.6 t30 -103.86 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.84 -17.72 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 62.12 45.07 7.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -85.95 119.58 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.76 122.99 5.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.696 0.76 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 163.41 81.93 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.3 0.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -88.72 109.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -57.61 -57.28 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.46 -170.34 3.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -64.69 175.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.82 112.4 24.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.22 154.91 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -147.72 137.03 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 30.4 t -82.5 128.18 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 p -89.66 -1.28 57.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.64 -22.9 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.9 m -101.2 -174.35 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' GLU . 73.8 mt -119.11 142.32 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 38.05 39.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.692 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 6.4 t80 -109.36 128.96 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.549 ' CD2' HD12 ' A' ' 32' ' ' ILE . 1.9 m80 -146.83 131.42 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 36' ' ' ASN . 18.2 mt -116.31 169.2 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.1 p -110.47 143.62 40.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 18.1 tp60 -32.96 -38.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -63.06 -65.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.4 m -50.95 -41.11 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -50.07 -39.26 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.11 -28.22 67.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 m -54.31 -26.98 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.493 ' CG ' HD23 ' A' ' 68' ' ' LEU . 3.5 m-85 59.5 54.17 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.0 t -118.69 -47.33 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.692 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -88.93 -12.62 41.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD23 ' CG ' ' A' ' 65' ' ' TYR . 8.2 mp -42.77 -29.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -31.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -101.75 152.76 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 m -71.77 104.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.6 m-85 -95.06 170.79 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.413 ' CA ' HD13 ' A' ' 85' ' ' LEU . 7.0 p -145.62 131.38 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 p90 -106.03 140.33 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.567 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -106.83 -179.82 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -127.5 167.28 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' ARG . 49.3 pttt -48.55 163.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' LYS . 20.6 mmt85 -37.47 155.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.49 39.31 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -146.32 -175.1 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -143.97 153.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 86.6 m95 -46.64 161.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 28.1 mtt-85 -138.57 123.99 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -59.16 126.94 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.413 HD13 ' CA ' ' A' ' 73' ' ' THR . 10.9 mt -87.58 161.16 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -109.48 112.12 24.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 88' ' ' ARG . 18.7 pttp -50.73 137.96 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 87' ' ' LYS . 23.6 ttt85 32.58 41.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 39.79 53.5 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.06 129.1 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -119.56 143.59 47.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.27 144.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 94' ' ' GLY . 1.1 t -162.47 129.47 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 93' ' ' SER . . . 37.82 -158.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.57 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.4 m -72.16 -62.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 m -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.534 -179.997 . . . . . . . . 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 -0.337 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -144.55 177.91 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 m -155.38 170.61 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.98 -171.61 14.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -165.22 173.85 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -152.24 156.08 39.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -149.71 8.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tp -155.9 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -115.46 174.87 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -123.11 173.1 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -96.01 172.09 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -132.41 178.52 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.32 178.13 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.9 t -92.89 172.42 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -89.88 167.79 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -117.49 162.35 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.9 158.29 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -134.08 115.81 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.79 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 163.2 21.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.64 176.58 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -108.78 161.7 14.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -112.88 133.66 54.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -97.39 175.49 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' CG ' HD11 ' A' ' 30' ' ' LEU . 4.6 tpp85 -92.54 156.68 16.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 8.0 mp -122.32 122.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -71.83 -23.76 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -44.71 -44.65 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -172.12 114.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.9 mm? -94.99 -41.93 8.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.82 -117.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 56' ' ' HIS . 24.9 mt -143.94 132.86 11.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.657 0.741 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 160.06 51.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.4 t -66.26 153.13 43.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' HIS . 10.6 t-20 -96.02 -23.18 16.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.91 -74.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 p -74.72 -26.34 59.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 68.26 41.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -77.73 118.2 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -147.03 128.62 7.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.79 160.68 87.72 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.345 -0.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.6 mt -87.22 84.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -44.59 -47.64 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 43' ' ' GLU . . . -72.82 -172.24 21.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -62.26 177.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.408 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 11.0 t -120.3 133.3 55.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.2 m-85 -133.53 154.64 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 16.8 pttp -154.53 152.45 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 22.3 t -88.92 128.13 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 p -89.16 10.85 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -119.8 -27.56 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 -174.99 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mm -119.93 132.94 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 47.22 54.54 9.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -126.34 127.65 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 32' ' ' ILE . 16.3 m80 -148.31 133.43 18.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.88 -178.64 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' GLN . 30.4 p -125.3 147.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 tp60 -34.49 -38.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.5 -68.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.7 m -51.91 -29.1 18.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 85' ' ' LEU . 27.6 t80 -68.07 -33.26 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.01 -29.47 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.3 t -78.66 -20.81 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.577 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 17.1 m-85 52.71 51.56 15.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.5 t60 -70.35 -12.15 61.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -41.52 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' HIS . 56.3 m -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.65 177.11 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -81.25 109.91 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.572 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -109.67 165.53 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 p -150.64 134.13 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.9 p90 -104.82 148.66 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -113.54 177.15 4.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 mm-40 -124.8 167.56 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.0 pttt -48.23 164.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.3 mpt_? -36.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 64.18 37.43 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -148.24 170.27 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 161.58 29.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 74.2 m95 -50.01 172.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 20.3 mtt-85 -152.84 134.71 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.6 p -72.34 112.35 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.576 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 8.8 mt -56.74 145.7 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -119.64 159.02 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm 52.51 51.85 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.46 159.25 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.85 105.38 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -101.3 84.34 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -146.95 110.94 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -44.52 130.06 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -151.55 117.24 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -36.48 143.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.43 3.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -91.68 157.19 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.0 m -73.23 -49.82 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.475 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -151.93 150.44 30.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -130.09 173.02 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.04 -146.43 4.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -158.23 173.06 17.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -153.61 169.46 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.97 -166.43 25.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -174.94 157.04 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -115.69 171.93 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -133.04 168.78 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 11.5 t80 -122.73 175.92 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 11' ' ' PHE . 2.5 mppt? -147.99 171.36 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -123.78 168.3 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -125.23 177.7 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.14 172.93 11.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -91.18 157.95 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 tp -118.3 150.69 39.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.9 169.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -171.69 140.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.01 175.12 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.41 152.58 37.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -71.41 105.92 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 141.19 28.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -149.03 135.99 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 21.8 ttm105 -133.21 145.2 50.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.82 82.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.4 p30 -48.54 -30.86 5.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -70.73 112.29 6.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.2 t60 74.34 49.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 31' ' ' GLY . 12.2 mt -71.23 -42.25 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.97 -116.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.529 HG21 ' CG ' ' A' ' 56' ' ' HIS . 18.6 mt -144.36 139.08 15.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.74 157.38 60.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.0 t -65.85 150.18 49.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' CG ' ' HA ' ' A' ' 55' ' ' TYR . 3.2 m120 -95.95 -10.48 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -71.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -81.22 -16.4 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -77.67 119.01 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.5 t80 -146.8 124.77 6.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.74 168.6 66.81 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.319 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.9 mt -95.08 91.05 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -43.92 -57.58 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.26 -173.83 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -59.74 178.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.06 134.47 54.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' A' ' 62' ' ' PHE . 3.2 m-85 -128.94 140.83 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -136.34 135.91 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 34.3 t -82.73 127.62 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -89.1 1.29 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -113.0 -23.9 9.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 m -99.2 -177.54 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 54' ' ' GLU . 81.3 mt -112.98 140.11 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.483 ' N ' HG22 ' A' ' 53' ' ' ILE . 14.1 pt-20 34.79 40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.793 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 12.4 t80 -109.01 129.91 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.529 ' CG ' HG21 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -149.27 134.37 18.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.839 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.4 mt -113.38 162.74 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -107.42 147.54 30.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' CYS . 31.4 tp60 -33.38 -41.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.51 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.9 m -54.64 -41.24 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 12.4 t80 -53.54 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -51.42 -28.65 13.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -57.45 -31.31 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.494 ' CB ' HD11 ' A' ' 68' ' ' LEU . 3.8 m-85 60.7 54.93 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -117.89 -63.0 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.793 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.6 t-160 -59.66 -10.54 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.494 HD11 ' CB ' ' A' ' 65' ' ' TYR . 12.7 mt -40.33 -37.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' LEU . 16.8 m -35.02 -41.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -93.9 165.78 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.5 m -82.33 112.57 19.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.8 m-85 -107.11 163.44 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 p -146.22 133.48 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.4 p90 -104.76 142.95 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 ptt180 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -126.87 167.15 16.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' ARG . 21.4 pttt -48.5 164.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.1 mmt85 -35.93 154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 77.8 m-20 64.29 39.57 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 79' ' ' ASN . 17.4 mm-40 -150.94 163.13 39.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -118.11 170.06 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.489 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 92.6 m95 -64.5 169.21 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.457 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 27.4 mtp180 -146.36 138.43 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -72.83 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.76 154.28 20.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -97.93 140.88 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -76.91 145.03 38.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -147.88 142.63 26.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.03 116.57 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -108.17 -45.66 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.26 140.88 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 p -96.34 134.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 t -116.25 -60.11 1.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.55 166.62 33.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.19 9.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 m 45.44 41.87 7.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 t -70.25 -60.62 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.512 -179.991 . . . . . . . . 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 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -154.52 165.6 35.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -92.11 139.46 30.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.44 155.87 22.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -159.73 134.66 7.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -174.96 159.56 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.06 -161.19 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 8' ' ' LEU . 2.5 pp -146.06 140.75 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -154.64 159.9 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -107.7 171.06 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -129.28 -176.38 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.503 ' N ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.04 169.42 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -141.91 162.09 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -174.55 163.78 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -167.29 115.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -139.65 169.07 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 17' ' ' LEU . 2.4 pt? -159.35 133.5 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.972 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.79 134.17 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.98 144.12 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.46 148.93 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.61 170.25 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -137.1 172.31 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -122.29 43.04 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.74 112.71 17.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -55.3 106.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.0 -60.88 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.52 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . 17.3 m-20 -87.57 177.78 6.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -86.43 -69.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 27' ' ' ASP . 40.3 p-80 -35.25 108.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -88.36 -39.02 14.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.97 -117.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.516 HG22 ' CG ' ' A' ' 56' ' ' HIS . 20.1 mt -144.34 139.25 15.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.577 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.1 Cg_endo -69.81 160.22 50.5 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 17.3 t -68.01 152.67 45.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' HIS . 21.4 t-20 -94.82 -17.78 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -96.32 -73.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -74.21 -25.1 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.1 mmmp? 67.03 43.0 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.97 122.01 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.65 128.08 7.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.8 167.64 70.44 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.33 0.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 12.2 mt -94.2 88.65 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -49.55 -53.0 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.64 -175.99 7.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -55.75 172.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.34 104.5 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 7.6 m-85 -101.81 154.91 18.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.1 150.22 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 35.9 t -91.08 123.52 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -86.58 8.18 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -117.19 -26.38 6.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.4 m -95.89 -175.31 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 33.9 mm -118.19 134.31 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 45.07 42.73 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.63 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 5.8 t80 -112.36 126.17 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.516 ' CG ' HG22 ' A' ' 32' ' ' ILE . 20.8 m80 -144.23 134.7 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.1 mt -114.8 -179.12 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -126.06 154.51 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.472 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 8.1 tp60 -42.42 -37.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.32 -69.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.2 m -51.47 -34.3 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 27.7 t80 -60.55 -35.2 75.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.57 -29.09 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.4 t -76.71 -21.81 54.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 11.2 m-85 56.8 42.22 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 t -80.75 -62.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.63 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -73.59 -12.82 60.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 24.2 m -46.67 -35.62 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -94.14 -179.61 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -87.2 104.65 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.5 m-85 -102.65 169.81 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 p -153.69 136.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 13.1 p90 -104.88 147.18 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.571 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 6.1 mtm180 -101.92 179.23 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -134.35 167.91 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 78' ' ' ARG . 21.9 pttp -48.09 163.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 tpp85 -37.39 155.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 57.5 t30 65.1 43.65 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 79' ' ' ASN . 27.8 mm100 -147.96 -175.04 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 160.08 43.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.571 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.2 m95 -48.83 151.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.52 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 17.2 mtp85 -131.78 134.72 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.8 p -68.16 115.77 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 72' ' ' PHE . 9.7 mt -70.17 167.32 18.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' CG ' ' HD3' ' A' ' 88' ' ' ARG . 21.1 pt-20 -87.76 128.36 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.423 ' C ' ' HD2' ' A' ' 88' ' ' ARG . 10.8 mtpp -67.77 83.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' HD3' ' CG ' ' A' ' 86' ' ' GLU . 7.8 mpt_? -124.85 147.79 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . . . 58.53 43.38 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.24 94.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -73.49 135.08 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.8 -17.05 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 t -56.29 150.94 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -94.66 105.76 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -176.76 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.358 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.2 p -120.52 -56.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 p -134.75 173.12 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.484 -179.972 . . . . . . . . 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 -0.317 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -151.44 157.43 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -153.01 173.09 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.82 146.62 16.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -158.49 166.62 31.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -115.47 172.11 7.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 102.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 tt -157.91 122.06 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -153.68 125.78 7.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -153.57 119.36 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.06 167.9 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -155.11 154.82 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -144.74 147.46 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -107.46 148.68 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.9 m -122.27 98.99 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 35.5 mttp -37.48 116.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -131.67 165.76 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' N ' HD22 ' A' ' 17' ' ' LEU . 100.0 t -126.57 90.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.07 140.74 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.56 121.33 44.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.54 163.96 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -118.35 145.51 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -84.67 168.61 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.71 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 137.99 41.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 4.4 pp -90.18 37.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -173.7 141.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -80.76 43.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -133.78 73.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 31' ' ' GLY . 55.9 mt -83.11 -42.1 17.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 31.27 -110.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 19.9 mt -142.2 138.81 17.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.77 165.49 30.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.8 t -64.36 155.64 31.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.695 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 3.2 t30 -95.44 -13.4 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -103.51 -73.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -83.37 4.06 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 35.6 mmtt 42.27 31.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -61.18 118.73 7.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -146.37 130.03 8.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.1 Cg_endo -69.76 169.42 63.4 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.296 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 20.5 mt -98.46 76.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -42.13 -54.37 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.89 -175.61 2.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -58.05 169.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.6 m -120.32 103.23 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.415 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 5.9 m-85 -97.15 152.58 18.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.953 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -141.23 133.07 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 20.7 t -76.95 127.02 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 p -90.94 7.0 42.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.59 -28.12 6.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.3 m -95.22 -174.47 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 37.3 mm -114.37 129.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 15.4 pt-20 45.56 41.73 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.695 ' CE2' ' ND2' ' A' ' 35' ' ' ASN . 4.6 t80 -105.34 126.84 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.422 ' NE2' HD11 ' A' ' 32' ' ' ILE . 3.9 m80 -141.85 134.19 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD13 ' CE2' ' A' ' 72' ' ' PHE . 21.1 mt -115.72 172.53 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.5 p -116.32 147.49 41.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.5 tp60 -35.46 -35.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.8 tt0 -65.19 -63.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.2 m -56.4 -27.47 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 85' ' ' LEU . 27.5 t80 -70.51 -22.58 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.96 -22.06 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -78.02 -19.82 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.5 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 54.28 34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.38 -48.94 10.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.653 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -85.48 -11.43 54.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -42.18 -22.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -49.79 -20.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.69 149.15 38.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -68.57 106.82 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.49 ' CE2' HD13 ' A' ' 57' ' ' LEU . 3.4 m-85 -95.33 179.47 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.5 p -151.78 129.12 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 83' ' ' ARG . 30.6 p90 -104.68 157.73 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 3.2 mmm180 -101.19 172.06 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -125.83 166.78 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' ARG . 4.2 ptpp? -49.25 163.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.9 mmm180 -37.22 156.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.42 35.41 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -145.26 168.31 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 173.53 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 94.8 m95 -51.16 174.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.573 ' HG3' ' CE2' ' A' ' 74' ' ' PHE . 1.4 mmp_? -140.88 135.51 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 p -83.72 104.93 14.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 52.2 mt -63.6 154.51 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -104.44 156.53 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -58.16 108.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -134.62 115.13 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.98 117.28 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.67 40.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.78 177.56 4.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.64 125.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 p -94.56 142.43 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -91.43 133.66 11.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -32.27 19.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 p -132.55 144.01 50.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.7 m -95.62 100.93 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.485 -179.968 . . . . . . . . 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 -0.334 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -164.19 165.63 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -131.66 -44.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.74 -145.06 15.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -172.76 151.12 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -131.26 140.72 49.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.3 -145.2 8.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.66 140.47 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -161.72 124.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -149.83 140.57 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -114.61 149.11 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -153.71 155.81 36.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -83.7 173.61 11.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 m -166.0 137.6 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -174.46 153.49 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -118.95 91.17 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.81 73.02 7.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.9 m -129.53 131.06 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.81 165.07 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.03 174.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.24 119.36 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -161.35 133.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -144.07 156.2 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.46 146.98 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -61.67 98.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 pp -119.57 44.25 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -156.87 131.84 8.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -56.87 -39.97 75.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -65.26 92.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt -90.93 -41.92 10.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.28 -114.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.554 HD12 ' CD2' ' A' ' 56' ' ' HIS . 17.3 mt -142.35 137.98 16.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.79 169.79 18.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 12.7 t -84.54 156.34 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.597 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.0 m-80 -96.44 -30.43 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.69 -75.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -72.33 -28.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 13.8 mmmt 68.56 42.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 tt0 -80.48 121.5 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.2 t80 -147.07 123.58 5.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 165.88 75.6 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.319 0.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 33' ' ' PRO . 16.9 mt -92.28 107.82 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.58 -57.26 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.38 -169.75 3.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -58.35 175.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.15 93.63 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 16.7 m-85 -84.18 147.82 27.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -141.14 136.43 31.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.3 t -85.42 124.14 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 p -86.98 5.64 36.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.59 -24.6 7.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 12.4 m -98.62 -179.57 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.0 138.92 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 39.6 42.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.785 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 21.7 t80 -117.28 131.63 56.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.597 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.6 m80 -149.12 136.51 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 mt -113.81 162.69 16.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.4 p -109.58 148.02 32.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' CYS . 24.0 tp60 -33.47 -43.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -62.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.0 m -54.14 -32.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -58.5 -42.11 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -24.95 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -59.87 -35.21 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.531 ' CG ' HD12 ' A' ' 68' ' ' LEU . 3.7 m-85 62.2 54.93 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.5 m -118.97 -65.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.785 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -58.22 -11.46 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.531 HD12 ' CG ' ' A' ' 65' ' ' TYR . 31.9 mt -41.13 -36.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.5 m -35.99 -36.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -98.36 164.9 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.3 m -79.6 108.14 12.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 5.4 m-85 -105.25 166.51 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 p -152.75 141.99 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 2.4 p90 -105.03 140.33 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.602 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -105.11 144.09 32.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -85.3 167.22 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' ARG . 19.4 pttm -48.67 164.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 18.6 mmt85 -37.3 157.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 63.42 36.64 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.8 -176.63 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -133.33 163.08 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.602 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 75.1 m95 -50.75 169.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 8.4 mmm180 -141.72 153.2 44.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p -92.56 105.92 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 mt -56.85 153.92 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -83.55 124.36 30.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -47.06 131.92 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -150.26 144.02 25.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.59 -59.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -152.41 159.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.94 -57.7 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.8 155.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 p -43.77 124.56 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.88 109.49 0.4 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.18 4.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -91.54 94.85 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -84.89 -59.28 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.476 -179.971 . . . . . . . . 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 -0.341 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -113.92 101.4 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -34.96 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.17 99.52 0.64 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -116.76 161.72 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t -169.7 113.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.75 125.77 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.2 tp -74.25 129.85 38.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -98.29 44.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -125.37 105.64 9.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -84.23 78.85 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.69 112.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -79.17 94.45 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.8 p -85.45 127.46 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.9 p -131.89 40.44 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.45 43.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -143.79 132.24 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 19' ' ' ALA . 7.1 p -145.48 140.65 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 18' ' ' VAL . . . -113.7 103.74 11.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 177.45 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 103.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -135.29 152.22 51.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -128.27 -30.41 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -76.8 134.91 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 25' ' ' ARG . 4.6 tmm_? -61.84 124.59 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.04 178.84 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.97 93.92 3.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -156.03 174.09 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.21 94.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' GLY . 20.7 mt -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.45 -111.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 56' ' ' HIS . 19.4 mt -144.17 139.5 15.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.7 165.32 31.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.4 t -75.56 152.31 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.592 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.4 m-80 -95.47 -21.35 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -91.04 -74.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 p -74.2 -27.18 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 4.2 mmmm 68.81 43.48 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -83.72 122.63 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -147.0 126.67 6.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.694 0.759 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 168.56 66.95 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.352 -0.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.422 HD11 ' C ' ' A' ' 33' ' ' PRO . 26.5 mt -95.49 83.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -43.53 -46.9 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 43' ' ' GLU . . . -71.21 175.94 38.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -52.21 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.474 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 96.8 m -120.23 139.39 52.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 2.0 m-85 -136.56 149.86 48.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.3 ptmm? -145.15 148.87 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.1 t -90.56 117.19 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -80.59 10.31 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -120.05 -28.51 5.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.0 m -96.18 -174.73 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -119.22 138.18 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 42.03 54.49 4.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 8.0 t80 -127.28 132.95 50.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.592 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 14.8 m80 -149.29 135.67 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -112.62 178.44 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLU . 29.7 p -124.15 145.4 49.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' CYS . 27.2 tp60 -34.1 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -62.8 -69.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.5 m -51.37 -28.36 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 23.3 t80 -65.01 -30.28 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -28.63 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.5 m -80.6 -16.09 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 7.6 m-85 51.12 47.29 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.22 -63.8 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.648 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -76.71 -12.17 59.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 62' ' ' PHE . 1.2 mm? -42.06 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' HIS . 69.2 m -47.1 -26.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -104.02 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 m -85.47 102.09 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.4 m-85 -101.54 165.77 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -145.44 132.16 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.535 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 2.8 p90 -105.11 146.01 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.0 ptt180 -111.51 -179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.6 mm-40 -131.77 169.71 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 1.9 pptp? -46.55 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.5 tpt180 -39.12 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.474 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 63.0 t30 67.78 28.47 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 26.6 mm100 -136.41 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -146.42 152.24 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 87.8 m95 -47.44 163.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 6.9 mtp85 -143.4 141.32 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.8 m -79.42 103.67 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 8.9 mt -60.32 148.91 35.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.53 134.76 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -57.14 122.2 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -47.22 159.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.41 104.08 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -155.29 155.46 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -69.44 115.59 8.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.6 145.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 p -79.42 -56.58 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.57 77.96 1.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 95.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 60.54 42.0 14.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.5 p -65.02 90.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.47 179.982 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p 44.24 42.26 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -49.66 167.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.86 107.42 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -98.55 144.87 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -51.57 97.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.53 153.03 52.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.53 129.97 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.23 141.78 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -94.41 136.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -138.76 170.33 16.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -109.4 172.39 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -143.39 177.57 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 p -107.59 161.74 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -56.52 95.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -138.72 107.96 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.48 86.07 2.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 19' ' ' ALA . 9.6 p -76.67 141.86 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' N ' HG22 ' A' ' 18' ' ' VAL . . . -171.68 169.47 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.4 173.27 7.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 87.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -125.25 119.36 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.83 -26.23 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 17.0 mt-10 -77.06 117.12 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -45.95 119.08 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -41.83 106.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.41 46.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -113.03 -61.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 36.9 p-80 -133.72 70.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' GLY . 84.3 mt -76.93 -42.05 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.12 -112.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 56' ' ' HIS . 19.7 mt -143.82 139.56 16.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.79 158.06 58.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 13.4 t -65.42 146.04 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -94.4 -5.42 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -104.33 -71.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -80.07 -20.76 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 34.4 mmtm 66.74 42.7 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -83.66 119.92 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -145.79 127.66 7.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 164.86 78.22 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 -1.809 . . . . 0.0 112.34 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.411 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 23.4 mt -91.37 82.98 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -42.53 -50.26 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.77 -174.65 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 76' ' ' GLU . 9.4 mmtt -60.05 170.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.432 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 92.7 m -115.22 111.64 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.8 m-85 -100.54 154.32 18.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 12.6 ttpt -144.51 133.95 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 44.5 t -81.6 124.73 29.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.4 p -88.34 11.76 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.5 -26.72 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 67.4 m -98.57 -174.61 2.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.03 130.09 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 50.43 38.86 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.607 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 4.9 t80 -107.58 130.39 54.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.565 ' CD2' HD13 ' A' ' 32' ' ' ILE . 4.1 m80 -147.03 132.58 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 mt -113.87 166.07 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLU . 27.5 p -110.94 147.81 33.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.0 tp60 -35.69 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' CYS . 9.3 tt0 -68.44 -68.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.8 m -50.99 -26.54 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 16.1 t80 -69.67 -29.96 67.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -60.82 -27.04 67.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 p -73.11 -17.97 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 51.55 39.81 25.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.11 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t60 -71.0 -11.42 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -41.78 -24.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -47.26 -26.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -109.86 150.24 28.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.8 m -66.58 101.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.477 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.2 m-85 -92.55 170.9 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -146.12 137.83 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.634 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 14.9 p90 -104.85 157.84 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.603 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -121.11 135.61 55.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 45' ' ' LYS . 37.3 mt-10 -81.86 166.8 19.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.4 pttm -49.16 164.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 16.0 mmt85 -37.63 155.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 67.33 33.65 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -144.75 171.95 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -124.45 170.88 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.603 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 21.3 m95 -69.64 170.92 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.634 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 5.7 ptp180 -175.4 140.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -46.81 164.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.534 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 8.1 mt -104.25 166.21 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.44 118.95 17.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 131.37 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -151.95 168.63 24.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.66 132.93 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.83 105.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -111.26 129.19 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.9 41.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.6 m -118.07 138.27 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.64 141.61 3.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.55 4.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.0 p -139.77 118.63 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -164.98 148.09 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.449 -179.945 . . . . . . . . 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 1.452 -0.246 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -134.92 162.58 32.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -115.25 162.85 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.43 -168.71 11.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -166.33 161.39 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 174.94 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.54 173.42 21.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.4 pp -135.57 165.04 26.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.84 157.9 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 139.63 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.23 132.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.93 141.14 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -167.39 118.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -93.74 163.14 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.6 m -87.84 151.43 22.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -112.29 108.28 17.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -147.19 137.46 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.53 127.94 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.08 116.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.61 84.6 7.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.4 147.47 26.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.28 155.47 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -134.34 109.78 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -123.53 172.89 8.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -80.91 132.14 35.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -101.73 130.04 48.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' N ' HD11 ' A' ' 26' ' ' LEU . 6.0 m-20 -32.32 -49.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 29' ' ' HIS . 64.9 mttt -46.92 173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.9 t60 -33.27 126.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 31' ' ' GLY . 59.8 mt -117.42 -42.28 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 31.47 -106.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CG2' ' HD2' ' A' ' 33' ' ' PRO . 12.8 mt -142.41 138.48 16.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.604 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 166.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.1 t -79.61 152.91 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.74 -28.6 14.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -83.26 -75.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.8 p -72.53 -28.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 16.8 mmmt 69.71 41.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 65.5 tt0 -82.35 121.04 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -147.06 124.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.7 168.55 66.84 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.383 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.7 mt -94.66 136.0 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -92.8 -47.84 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 178.3 20.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -51.69 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.86 108.36 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -109.08 145.28 35.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.492 ' HD2' ' CH2' ' A' ' 82' ' ' TRP . 9.2 ptmt -150.05 131.54 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 16.0 t -73.51 129.2 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 p -90.02 2.98 54.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -112.74 -31.48 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.3 m -88.92 -174.78 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -115.34 134.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.44 43.1 2.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.657 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 4.2 t80 -105.48 128.68 53.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CG ' HG22 ' A' ' 32' ' ' ILE . 5.8 m80 -146.26 129.14 16.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.98 167.37 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -111.65 142.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -33.82 -40.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -59.25 -58.82 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 m -58.22 -41.55 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CZ ' HD12 ' A' ' 85' ' ' LEU . 24.9 t80 -49.78 -45.72 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 2.9 t0 -51.72 -23.78 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -61.24 -31.83 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . 4.3 m-85 63.73 51.07 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 73.8 m -112.83 -56.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.657 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t-160 -83.14 -13.24 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 65' ' ' TYR . 7.7 mp -42.43 -33.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -83.28 162.29 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.5 m -75.3 108.38 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.5 m-85 -106.18 160.75 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 p -135.96 127.2 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 11.1 p90 -105.16 144.52 31.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 7.2 mtm180 -101.26 -179.84 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -132.72 167.82 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 21.0 pttp -48.13 164.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mmt180 -37.08 155.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 63.9 46.77 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 13.5 mm-40 -150.0 -176.61 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -146.64 155.59 42.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.9 m95 -43.32 161.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 22.7 mtp85 -140.73 127.13 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.5 m -66.03 118.82 10.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 22.3 mt -74.24 146.36 43.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -86.29 142.52 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -58.93 105.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.53 146.3 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -67.05 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.72 165.22 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' VAL . 12.6 tm-20 -97.55 129.41 44.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' GLU . 10.4 p -33.32 135.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.9 t -117.3 159.14 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -40.62 103.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 143.86 52.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.2 p -106.99 129.51 54.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.2 t -63.68 -50.46 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.805 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.507 -179.926 . . . . . . . . 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 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -133.31 -49.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -104.19 117.88 35.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.63 -169.03 11.58 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -154.97 173.84 15.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -45.52 151.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.31 107.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.54 155.1 18.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.03 85.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -94.43 -44.71 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.48 155.49 33.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -110.31 128.57 55.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -135.32 121.15 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -122.43 101.92 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -77.51 173.68 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -115.39 167.54 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.94 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.6 t -104.4 119.06 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.13 145.02 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 169.36 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 42.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.14 -41.51 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -58.62 155.58 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -52.67 162.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.49 162.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.64 -32.88 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -130.94 128.62 40.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.08 -27.13 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -57.51 83.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.545 HD21 ' CZ ' ' A' ' 40' ' ' PHE . 12.2 mt -104.93 -42.19 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.85 -102.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.587 HD11 ' CD2' ' A' ' 56' ' ' HIS . 17.7 mt -143.48 138.92 15.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.77 165.74 29.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.361 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 23.1 t -69.8 156.63 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -96.99 -18.44 19.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.92 -74.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.2 p -83.31 4.24 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 23.4 mmtm 43.29 28.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -57.09 117.73 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.89 129.38 7.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.73 169.27 64.05 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.313 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 23.8 mt -97.11 75.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -40.67 -57.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.93 173.89 7.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -47.16 169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -120.47 122.52 40.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 2.6 m-85 -119.86 153.49 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.522 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.0 ptmm? -147.19 144.23 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 38.5 t -82.98 127.09 33.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -92.38 10.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -118.83 -27.08 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.04 -175.02 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.9 mm -116.73 132.22 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 45.05 51.82 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -120.63 132.4 55.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.587 ' CD2' HD11 ' A' ' 32' ' ' ILE . 31.3 m80 -147.82 140.82 24.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.9 mt -121.27 175.7 6.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.5 p -121.74 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.4 tp60 -36.56 -41.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.55 -67.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 m -50.68 -31.21 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 30.8 t80 -66.11 -33.88 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.53 -25.65 38.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -81.87 -16.09 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 48.41 45.16 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.15 -62.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.3 t60 -73.68 -12.23 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -42.0 -23.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 61.6 m -44.35 -27.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -103.69 175.67 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 m -81.84 108.05 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -106.76 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -147.45 131.59 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.601 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 8.8 p90 -104.87 144.05 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.562 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 9.1 mtt180 -101.59 177.76 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -132.05 168.71 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -46.86 163.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.6 tpt85 -39.67 152.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 47.4 t30 70.46 34.18 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 21.4 mm100 -140.8 -175.09 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 82' ' ' TRP . 23.8 mmmt -145.38 159.9 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 96.4 m95 -43.94 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.601 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 7.8 mmt85 -140.75 145.04 35.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.7 m -85.72 110.91 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 10.5 mt -76.86 154.71 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.28 130.29 55.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -51.87 95.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.42 127.55 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.1 111.81 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -96.77 87.43 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -126.86 92.0 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -106.22 111.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.8 p -138.52 159.56 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 121.63 82.76 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 177.05 6.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -51.97 -61.4 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 p -74.2 160.59 30.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.495 179.977 . . . . . . . . 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 -0.294 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -140.82 172.26 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -110.43 154.54 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.32 -143.16 6.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -149.0 154.94 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -144.3 147.87 34.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.27 -150.16 12.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 8' ' ' LEU . 4.5 mm? -110.26 156.37 20.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -158.15 116.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -133.32 174.92 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 151.6 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' N ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -60.65 113.33 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -49.15 145.72 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.6 m -76.35 175.46 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -88.46 -49.89 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? 60.17 41.57 16.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.6 mt -90.1 89.91 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 19' ' ' ALA . 97.8 t -151.25 141.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.445 ' N ' HG11 ' A' ' 18' ' ' VAL . . . -83.68 120.33 25.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.04 120.15 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -173.06 158.63 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mt-10 -36.41 110.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -148.06 145.87 28.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ARG . 43.9 mm-40 -107.38 165.02 11.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 14.0 ttp-105 -35.87 109.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -132.79 -38.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.17 166.8 20.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -89.52 39.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 75.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.0 mm? -84.55 -43.07 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 15.92 -113.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.513 HG22 ' CG ' ' A' ' 56' ' ' HIS . 21.1 mt -142.79 137.76 15.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.72 154.45 67.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 8.4 t -67.48 149.34 50.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 4.3 t30 -95.56 -15.74 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -95.12 -73.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.1 p -77.08 -24.6 51.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 39.0 mmtt 70.09 40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 24.0 tt0 -81.54 118.28 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.8 t80 -146.6 127.24 7.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 168.31 67.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.6 mt -99.41 102.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.87 -39.77 95.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.63 -176.34 39.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.67 175.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -120.73 100.23 6.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -94.5 152.49 18.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 32.0 ttmt -146.81 140.46 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 t -87.82 131.19 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -91.08 3.64 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -114.44 -25.89 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 m -95.84 -175.02 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -116.08 134.18 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 41.66 41.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.672 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 5.4 t80 -104.54 132.16 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.513 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 1.9 m80 -149.33 129.21 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.9 mt -112.49 154.72 25.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.1 p -99.6 148.55 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.1 tp60 -35.95 -41.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.7 m -56.11 -42.87 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 85' ' ' LEU . 18.8 t80 -51.88 -39.56 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.06 -27.13 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -61.48 -30.2 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.549 ' CD2' HD12 ' A' ' 68' ' ' LEU . 4.0 m-85 58.3 55.06 5.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -115.26 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.672 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -61.48 -10.35 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD12 ' CD2' ' A' ' 65' ' ' TYR . 9.9 mt -40.3 -34.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' LEU . 24.3 m -37.07 -43.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -93.33 168.36 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.2 m -84.47 111.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -104.91 167.3 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -150.62 138.74 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 5.4 p90 -104.78 149.21 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 1.4 ptp85 -109.23 -179.29 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.515 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.2 mt-10 -134.13 168.69 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 1.8 mtmp? -47.6 164.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 10.9 mpt_? -37.05 156.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 80' ' ' GLN . 16.2 t-20 64.37 42.23 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.515 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 28.4 mm-40 -146.33 -179.21 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -145.39 153.22 40.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.41 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 55.8 m95 -46.24 173.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.587 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -172.8 136.41 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -56.11 154.12 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 9.4 mt -101.03 163.03 12.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.94 122.47 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -49.32 169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -71.33 112.31 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.18 83.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -168.54 132.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.59 -55.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.52 138.52 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.9 m -123.25 97.37 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.91 -86.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.34 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.0 p -141.14 110.26 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.2 p -171.95 143.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.496 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -151.23 175.97 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -106.28 121.74 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.2 -157.9 12.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -111.26 173.46 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -135.71 155.27 50.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.09 155.63 38.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.25 109.87 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -149.57 176.51 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -115.42 135.68 53.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.4 141.55 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -100.84 120.87 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -122.66 130.15 52.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -143.73 113.25 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -151.53 164.3 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -139.16 134.19 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 19' ' ' ALA . 91.7 t -130.51 113.49 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' VAL . . . -34.27 145.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.24 168.82 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.61 169.29 11.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -156.48 151.89 26.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.81 142.55 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -90.72 144.57 25.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' ASP . 2.3 mpp_? -103.22 41.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER 36.57 27.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 p-10 29.66 50.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 15.8 tptp -125.71 -64.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.493 ' CE1' HH21 ' A' ' 75' ' ' ARG . 69.2 t60 -118.79 80.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.1 mt -77.31 -42.85 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.31 -119.64 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.52 HG21 ' CG ' ' A' ' 56' ' ' HIS . 22.1 mt -145.33 138.36 14.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HB3' ' CG ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.68 155.31 66.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 13.0 t -69.71 153.99 42.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -95.93 -27.4 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -86.14 -74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.1 p -71.94 -28.96 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 22.1 mmtp 68.66 46.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.3 tt0 -87.67 121.13 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.7 126.29 6.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.707 0.765 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 167.19 72.08 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.32 0.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 44.6 mt -93.69 109.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.77 -57.52 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.28 -179.38 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -54.95 -179.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -119.5 125.76 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.493 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 2.2 m-85 -123.48 152.12 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 82' ' ' TRP . 17.1 pttt -152.32 145.17 24.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 49.4 t -83.38 120.13 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 p -81.14 7.56 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -114.3 -31.65 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -95.02 -174.53 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -122.26 133.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 51.83 48.0 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 7.9 t80 -125.41 105.97 9.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CG ' HG21 ' A' ' 32' ' ' ILE . 7.1 m80 -130.01 132.66 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.81 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.23 -178.77 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.9 p -120.25 147.17 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.493 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 18.1 tp60 -34.38 -41.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.48 -69.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.7 m -47.69 -44.32 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 13.4 t80 -48.65 -39.12 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.42 -34.07 60.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 t -63.53 -23.46 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 68' ' ' LEU . 5.5 m-85 61.37 31.23 19.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.01 -75.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.409 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.3 t60 -76.73 -12.91 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 65' ' ' TYR . 4.5 tt -42.39 -25.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -43.36 -43.66 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -82.26 166.22 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 m -70.0 112.92 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.0 m-85 -111.03 163.47 13.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.3 p -146.3 133.58 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 5.6 p90 -104.7 152.59 22.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.574 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -115.15 176.39 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.6 mt-10 -126.08 169.32 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 16.8 mttp -46.77 163.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 11.8 tpp180 -37.73 158.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.467 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 3.3 m-20 63.24 39.8 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 7.0 mm-40 -143.26 -175.2 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -143.84 151.02 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 73.2 m95 -47.74 162.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 13.5 mtp180 -142.21 132.05 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -68.1 123.26 20.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.59 168.33 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.89 143.48 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -72.17 169.52 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ALA . 14.5 mmm180 -45.36 145.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' ARG . . . -35.11 -49.42 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.53 144.08 51.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.43 145.05 34.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 m -79.3 138.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.1 t -130.55 159.27 37.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.47 169.6 34.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 99.57 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.286 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.9 m 62.8 43.63 6.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.1 t -80.67 95.08 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.491 -179.982 . . . . . . . . 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 1.452 -0.296 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p 38.79 42.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -105.27 139.37 40.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.92 -171.49 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -124.21 173.85 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -155.81 164.96 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.09 148.18 5.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -166.59 143.06 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' N ' HD23 ' A' ' 8' ' ' LEU . 10.0 mm-40 -93.87 149.62 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -87.47 163.62 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -116.4 176.54 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -153.83 152.19 30.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -171.97 142.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 m -161.47 154.77 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.2 p -159.68 147.98 17.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.36 168.87 18.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 tp -94.85 143.72 26.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.11 143.98 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.52 151.48 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.91 170.79 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.64 46.41 17.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.72 32.44 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -146.04 146.92 31.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.1 mm-40 -76.9 177.67 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 10.0 mtm105 -35.24 101.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 27' ' ' ASP . 1.8 pt? -104.48 -36.54 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' OD2' ' CG ' ' A' ' 41' ' ' PRO . 4.8 p30 -76.52 -175.92 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -106.44 -35.34 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 45.2 p-80 -82.25 77.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 3.7 mm? -90.86 -41.76 11.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.95 -104.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.56 HD12 ' CD2' ' A' ' 56' ' ' HIS . 17.8 mt -141.46 140.14 20.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.0 Cg_endo -69.85 169.94 17.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 12.2 t -81.88 154.43 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.4 m-80 -96.72 -28.73 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -83.61 -74.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.5 p -73.37 -28.45 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 18.2 mmmt 68.71 43.43 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' NE2' ' OE2' ' A' ' 43' ' ' GLU . 11.8 tt0 -82.9 119.53 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.68 127.52 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.501 ' CG ' ' OD2' ' A' ' 27' ' ' ASP . 53.5 Cg_endo -69.82 164.6 78.98 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 0.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.451 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 18.1 mt -91.6 124.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 44' ' ' GLY . 3.2 pm0 -89.08 -32.63 17.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.488 ' N ' ' HG2' ' A' ' 43' ' ' GLU . . . -85.22 173.1 48.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -46.78 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.8 t -114.69 111.19 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 40.2 m-85 -109.26 152.84 24.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.2 tttm -142.75 141.87 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 33.9 t -84.2 117.79 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 p -81.38 2.81 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.39 -25.34 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.7 m -100.34 -175.05 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.0 mt -120.41 137.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 45.2 54.98 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -127.19 133.96 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.56 ' CD2' HD12 ' A' ' 32' ' ' ILE . 14.1 m80 -149.61 135.81 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.426 HD12 ' CE2' ' A' ' 72' ' ' PHE . 16.3 mt -118.72 166.25 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' GLN . 25.7 p -112.64 150.45 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.1 tp60 -37.35 -42.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.54 -64.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -54.42 -36.22 63.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.556 ' CZ ' HD12 ' A' ' 85' ' ' LEU . 23.4 t80 -60.34 -32.56 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.68 -28.83 61.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -77.65 -25.21 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 16.1 m-85 57.83 44.18 20.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -81.38 -65.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 t60 -72.17 -12.04 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -41.46 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' HIS . 48.6 m -45.09 -30.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -99.55 172.33 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.6 m -80.06 101.99 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.6 m-85 -99.7 169.81 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -153.76 138.78 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 19.4 p90 -104.67 146.09 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.587 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -100.71 179.94 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' A' ' 75' ' ' ARG . 49.3 mt-10 -132.97 166.81 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.41 162.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -38.46 155.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 65.88 35.8 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -145.17 173.44 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.23 158.04 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 70.6 m95 -47.76 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 26.4 mtp180 -147.79 144.19 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t -76.96 145.62 38.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 9.1 mt -104.2 148.97 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.27 158.9 20.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.54 156.22 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.424 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -66.96 151.47 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 98.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 143.21 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.56 -53.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.413 ' CG2' ' HD3' ' A' ' 95' ' ' PRO . 6.9 p -73.43 138.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -112.52 43.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 49.71 83.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.413 ' HD3' ' CG2' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.82 169.56 18.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -97.13 136.42 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -69.64 -46.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.468 179.969 . . . . . . . . 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 1.451 -0.336 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -170.47 174.82 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -160.93 175.36 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.77 -162.53 9.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -172.46 177.6 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -170.58 173.45 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.5 172.72 36.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 mt -155.22 177.37 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.16 177.2 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.12 167.33 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -151.23 175.32 12.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -160.9 167.48 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -165.19 162.34 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' SER . 5.4 p -123.05 -20.27 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' SER . 18.7 m 35.25 51.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -45.21 138.59 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.72 177.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 19' ' ' ALA . 11.1 p -83.55 161.48 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 18' ' ' VAL . . . -98.99 179.19 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.32 172.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.19 151.65 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.76 179.0 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -52.52 150.51 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -158.92 -179.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 11.4 ttp-105 -38.32 151.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 3.7 mm? -111.69 -72.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 28' ' ' LYS . 19.9 t70 -132.11 81.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 25.3 48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' ASP . 53.7 t60 -121.33 57.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 31' ' ' GLY . 2.3 mm? -77.83 -42.02 35.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 30.7 -112.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.515 HG22 ' CG ' ' A' ' 56' ' ' HIS . 21.4 mt -143.25 138.49 15.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.577 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.76 165.25 31.61 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 11.6 t -73.29 150.97 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.7 -13.24 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 11.7 t30 -98.31 -73.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 p -78.29 -18.51 55.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 36' ' ' ASN . 1.4 mptp? 62.61 40.45 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -78.79 119.93 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.28 126.18 6.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 164.64 78.67 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.386 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 33' ' ' PRO . 22.1 mt -89.66 93.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.61 -57.21 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.8 -168.85 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' NZ ' ' HA ' ' A' ' 76' ' ' GLU . 6.8 mmtt -63.69 179.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.8 m -118.63 107.59 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.9 m-85 -97.16 154.99 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.651 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -156.42 137.0 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.9 t -80.9 128.05 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 p -89.91 5.86 44.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.22 -26.0 7.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -94.64 -175.67 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 mm -119.77 132.2 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 48.6 49.07 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.462 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 4.8 t80 -119.53 127.91 53.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.515 ' CG ' HG22 ' A' ' 32' ' ' ILE . 20.6 m80 -146.33 132.07 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.3 mt -119.41 168.57 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 60' ' ' GLU . 26.8 p -113.38 144.7 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' CYS . 22.1 tp60 -33.36 -34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 6.2 tt0 -65.92 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.64 -28.42 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.709 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 25.3 t80 -62.58 -39.63 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.57 -18.42 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -65.6 -27.72 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CD1' HD21 ' A' ' 68' ' ' LEU . 3.3 m-85 58.97 53.93 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 t -115.61 -45.23 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t60 -95.28 -13.64 24.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 65' ' ' TYR . 6.9 mp -43.28 -29.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -41.58 -46.02 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -81.43 168.14 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -79.73 110.59 15.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.8 m-85 -110.01 164.15 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.1 p -154.03 138.09 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 42.4 p90 -106.16 160.66 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' HG2' ' CD2' ' A' ' 82' ' ' TRP . 6.9 mmt180 -107.4 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.9 mp0 -134.61 167.78 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 12.5 pttp -48.1 163.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 2.0 tpp180 -38.07 156.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 64.91 43.06 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 15.5 mm-40 -147.75 176.29 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -147.08 148.03 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.651 ' CH2' ' CD ' ' A' ' 48' ' ' LYS . 97.0 m95 -34.38 151.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.579 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 54.2 mtp180 -131.16 132.4 44.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.6 p -68.76 117.48 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.1 mt -73.73 156.94 37.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.0 133.46 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 88' ' ' ARG . 19.7 tttp -78.66 153.29 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 24.6 ttm180 -33.45 134.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.93 49.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -122.34 131.36 53.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -125.3 110.49 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 33.4 m -136.79 118.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t -108.25 41.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.99 123.83 2.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.25 32.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m 56.77 41.14 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.7 t -109.66 151.37 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.523 -179.964 . . . . . . . . 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 -0.305 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -156.93 162.74 39.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -149.58 173.41 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.74 -170.19 12.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -168.14 161.75 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -93.54 171.23 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.25 -62.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.5 pt? -45.73 130.54 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -163.57 172.78 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' PHE . 9.8 pt-20 -116.44 152.25 34.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLU . 11.8 p90 -36.64 150.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 142.51 18.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -94.23 176.65 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -151.07 176.95 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -58.37 173.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -129.82 173.35 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.54 154.12 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -143.02 162.36 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 164.26 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.5 158.56 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 164.8 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -112.31 164.37 13.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -116.11 135.56 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ARG . 19.9 mm-40 -151.49 165.1 35.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' GLU . 19.5 ttp180 -35.22 142.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -117.55 -39.03 3.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -121.94 177.24 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LEU . 2.3 mmpt? -75.72 -42.9 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -61.26 80.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt -93.46 -41.86 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.31 -113.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.52 HG23 ' CG ' ' A' ' 56' ' ' HIS . 25.4 mt -141.79 139.52 18.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 53.3 Cg_endo -69.82 164.45 34.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 14.3 t -75.16 148.2 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -94.35 -10.79 31.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 1.1 t30 -100.65 -72.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.9 p -77.12 -24.86 51.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 42.3 mmtt 69.17 42.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -83.92 121.48 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.67 127.45 7.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 166.41 74.14 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.379 -0.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.424 HD13 ' C ' ' A' ' 33' ' ' PRO . 12.2 mt -91.72 105.86 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.81 -57.22 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.78 179.39 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -52.76 179.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -119.94 112.98 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 53.9 m-85 -115.33 148.14 39.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 21.6 pttt -146.21 141.62 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 37.8 t -78.8 126.8 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.9 p -87.96 5.56 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -115.61 -26.58 7.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -94.7 -173.77 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' GLU . 48.0 mm -115.13 138.42 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ILE . 17.3 pt-20 37.03 39.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 5.0 t80 -104.97 119.64 39.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CG ' HG23 ' A' ' 32' ' ' ILE . 7.0 m80 -140.71 131.4 25.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 36' ' ' ASN . 25.5 mt -112.58 -178.52 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.1 p -123.64 145.28 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.7 tp60 -33.85 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.29 -61.88 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 m -57.37 -39.46 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.98 -37.49 69.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.95 -37.6 66.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -65.13 -11.1 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 68' ' ' LEU . 4.4 m-85 52.41 34.11 14.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 86.5 m -74.01 -75.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.1 t60 -75.22 -12.87 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 65' ' ' TYR . 3.1 tt -42.44 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' HIS . 66.5 m -45.51 -44.68 12.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -82.73 162.33 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -69.02 108.53 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.1 m-85 -106.53 157.64 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 128.96 34.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.459 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 1.4 p90 -106.36 140.06 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.54 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -103.72 176.38 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -110.69 169.42 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 2.7 ptpp? -46.09 164.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 13.1 tpt180 -36.99 156.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.1 t-20 59.84 45.47 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mm100 -148.72 -175.78 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 2.8 mmmp? -127.71 -178.41 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 48' ' ' LYS . 93.3 m95 -75.97 170.9 15.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.459 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 24.2 mtp85 -144.54 129.36 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.0 p -73.15 117.96 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.33 165.38 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.07 157.11 18.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -82.54 93.16 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -106.43 120.21 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 132.44 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -65.23 175.8 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -150.11 108.52 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t -137.17 148.38 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 t -107.37 99.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.63 152.3 3.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.21 22.27 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.7 m -111.07 -50.1 2.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.6 t -41.69 138.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.496 -179.965 . . . . . . . . 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 -0.312 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -140.66 150.04 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 150.78 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.04 160.06 36.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -87.72 136.24 33.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -126.15 174.53 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.86 113.11 0.69 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -166.84 123.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.01 141.37 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -164.73 117.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -50.13 131.9 23.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -102.27 175.2 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -76.03 171.32 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -56.25 149.9 15.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -77.36 123.52 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -56.85 158.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -86.52 82.05 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.2 p -36.38 151.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.77 94.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.32 127.8 43.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.24 173.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.55 45.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.23 -54.53 7.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.24 155.54 28.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.92 160.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 27' ' ' ASP . 5.4 mp -116.27 42.24 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 14.2 t0 34.04 54.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' HIS . 13.1 tttp -128.19 101.89 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.7 p-80 35.11 50.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' CD2' ' H ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.92 -42.04 93.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 39.26 -101.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 56' ' ' HIS . 19.8 mt -143.44 139.68 16.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.6 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.68 159.19 54.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.373 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 11.6 t -67.55 152.42 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -95.99 -23.51 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -88.21 -74.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.7 p -74.01 -27.32 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 20.7 mmmt 68.89 43.19 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 9.0 tt0 -83.53 123.0 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.6 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 2.0 t80 -146.95 125.5 6.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.71 167.89 69.25 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.371 -0.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mt -93.43 84.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -39.77 -57.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.68 -174.04 7.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -58.2 168.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.13 106.79 13.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.42 153.07 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -144.64 122.74 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 48.8 t -66.56 126.24 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -90.57 4.11 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -111.26 -24.83 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 m -101.33 -174.74 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.64 137.4 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 48.09 42.95 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -121.68 127.99 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -145.13 133.55 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 mt -114.83 165.88 12.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.8 p -112.31 149.03 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.7 tp60 -33.79 -44.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.17 -67.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -50.35 -38.95 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -54.57 -36.97 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -61.31 -21.46 63.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 t -64.7 -28.22 69.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HD21 ' A' ' 68' ' ' LEU . 5.5 m-85 57.95 50.7 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.13 -50.27 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -89.89 -12.37 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 65' ' ' TYR . 9.4 mp -42.59 -25.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -36.65 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -92.18 158.42 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 m -74.8 107.63 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.2 m-85 -98.55 176.29 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -151.54 134.68 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -111.26 148.52 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.525 ' HG3' ' CD2' ' A' ' 82' ' ' TRP . 13.0 mtt180 -101.84 172.6 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.16 168.31 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ARG . 24.6 pttt -47.97 163.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 12.7 tpp180 -36.54 155.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.8 m-80 63.91 42.55 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -149.91 -175.07 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 159.51 44.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.525 ' CD2' ' HG3' ' A' ' 75' ' ' ARG . 82.8 m95 -39.37 155.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -142.13 128.0 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -54.46 156.42 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -107.27 168.07 9.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -105.43 134.42 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -55.38 142.65 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -145.55 168.58 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.59 122.84 15.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -116.86 163.07 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.85 92.17 6.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.25 117.93 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.9 m -113.69 177.35 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -88.37 -88.5 1.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 116.32 4.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.1 t -82.7 123.25 29.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 t -116.95 103.47 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.518 -179.992 . . . . . . . . 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 ' 30' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' A' ' 41' ' ' PRO . 4.1 mm? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.43 -104.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.676 HD13 ' NE2' ' A' ' 56' ' ' HIS . 15.4 mt -139.98 139.16 20.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.79 162.58 41.56 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.535 ' N ' HD11 ' A' ' 42' ' ' ILE . 18.1 t -71.31 152.35 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.59 -16.55 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -95.18 -73.74 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 22.3 p -77.47 -24.78 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 3.3 mmmm 70.33 37.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 17.6 tt0 -72.96 120.01 18.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.7 t80 -146.74 125.11 6.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.605 ' HB3' HD13 ' A' ' 30' ' ' LEU . 53.2 Cg_endo -69.77 168.69 66.64 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.316 0.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 42' ' ' ILE . 25.7 mt -95.8 77.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.37 -46.49 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -69.87 -179.67 25.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.63 173.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -120.25 116.02 24.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -115.93 154.91 28.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 10.0 ptmm? -149.8 147.59 28.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 36.1 t -88.03 124.43 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -89.04 15.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -123.14 -27.83 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.47 -175.52 3.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.7 mm -118.0 129.97 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 49.19 51.21 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.555 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 12.0 t80 -122.36 129.61 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.676 ' NE2' HD13 ' A' ' 32' ' ' ILE . 24.5 m80 -144.85 141.08 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD23 ' SG ' ' A' ' 34' ' ' CYS . 12.2 mt -121.12 174.81 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 p -121.53 158.58 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -44.56 -38.66 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -61.39 -67.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.9 m -53.38 -31.12 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 24.5 t80 -65.71 -34.27 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -56.96 -23.59 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -83.89 -16.82 42.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 8.6 m-85 52.13 40.58 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.89 -59.83 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.555 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -78.1 -12.82 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -42.51 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 52.9 m -46.8 -33.3 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -97.01 172.42 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 m -78.8 102.98 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.9 m-85 -102.33 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -148.02 131.92 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 11.8 p90 -105.0 150.72 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 mtm180 -101.47 179.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -131.74 167.82 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.4 pttm -48.18 161.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 77' ' ' LYS . 9.1 mmt180 -35.34 153.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 5.9 m-20 64.42 43.15 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 79' ' ' ASN . 24.0 mm100 -150.21 166.87 28.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -126.98 158.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.585 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 92.7 m95 -43.83 165.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.583 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 11.8 mtp180 -144.03 144.92 31.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.752 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.9 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.857 0.361 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.7 -117.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.691 ' O ' HD12 ' A' ' 42' ' ' ILE . 27.5 mt -144.9 135.79 12.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.78 158.18 57.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' HD23 ' A' ' 57' ' ' LEU . 15.8 t -66.56 152.84 44.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.35 -21.24 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.533 ' HB2' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.15 -73.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.7 p -73.47 -26.81 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 47.5 mmtt 68.55 42.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.2 tt0 -82.76 123.59 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.81 127.01 6.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 169.08 65.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.296 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 32' ' ' ILE . 20.7 mt -95.03 82.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -41.56 -52.88 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -67.89 -174.47 8.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -60.31 175.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.0 t -119.88 126.78 51.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 2.3 m-85 -117.54 153.9 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.3 ttpp -142.25 140.23 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 40.3 t -88.66 121.24 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 p -84.59 10.63 10.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -120.21 -26.97 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.5 m -97.19 -174.68 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' A' ' 54' ' ' GLU . 50.5 mm -112.18 130.94 64.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' HG2' HG22 ' A' ' 53' ' ' ILE . 17.1 pt-20 40.84 43.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.577 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 7.2 t80 -105.47 133.99 49.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 48' ' ' LYS . 4.5 m80 -147.49 144.59 28.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.606 HD23 ' SG ' ' A' ' 34' ' ' CYS . 12.6 mt -124.22 168.68 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.2 p -113.47 146.23 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -34.89 -38.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.33 -66.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' CB ' HD22 ' A' ' 57' ' ' LEU . 29.5 m -50.56 -35.13 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.611 ' CE1' HD21 ' A' ' 68' ' ' LEU . 27.8 t80 -63.18 -30.06 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.53 -25.23 62.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.3 t -84.07 -18.88 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 55.39 39.5 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.97 -60.07 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.577 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.7 t60 -75.49 -11.69 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.611 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -41.36 -28.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 m -42.5 -36.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -97.29 156.62 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -68.07 101.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -99.53 158.13 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -139.06 138.59 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 4.5 p90 -106.53 154.45 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.583 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -101.43 179.07 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 18.5 mt-10 -130.06 166.49 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' ARG . 15.9 pttm -48.93 165.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 8.4 tpt180 -37.11 160.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 2.5 p-10 51.24 53.52 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 57.2 mm-40 -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.87 156.17 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 29.0 m95 -59.4 171.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.424 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 5.6 ptm180 -174.39 160.87 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.9 mt . . . . . 0 N--CA 1.46 0.035 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 36.71 -116.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 42' ' ' ILE . 20.3 mt -143.83 139.32 16.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.77 158.1 58.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.548 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.9 t -69.01 151.25 46.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.57 -12.65 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.94 -72.81 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.9 p -76.45 -22.3 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.8 mmmp? 67.16 40.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 33.3 tt0 -76.79 119.69 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.94 124.98 6.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.76 168.03 68.94 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.38 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 32' ' ' ILE . 13.1 mt -95.15 105.31 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -66.24 -49.99 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -68.33 -178.83 16.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -54.97 173.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 111.13 17.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 3.6 m-85 -107.02 153.79 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 28.0 tttm -142.43 144.24 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 46.6 t -88.15 118.49 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 p -82.47 9.89 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -119.06 -26.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -98.61 -174.85 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -119.49 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 50.4 52.24 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -123.58 131.04 53.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' HD13 ' A' ' 32' ' ' ILE . 10.4 m80 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 72' ' ' PHE . 15.9 mt -113.04 170.6 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.4 p -117.07 146.54 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 6.7 tp60 -34.67 -37.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.98 -68.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.8 m -51.46 -32.52 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 35.1 t80 -64.23 -30.47 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 t -82.48 -22.31 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 7.7 m-85 56.51 43.44 25.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.5 -57.95 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.1 t60 -80.71 -12.34 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -42.05 -23.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' HIS . 55.9 m -44.69 -32.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -96.92 176.76 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 m -84.91 102.24 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.2 m-85 -99.59 170.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -152.77 137.77 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 5.8 p90 -104.98 142.56 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.577 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.6 OUTLIER -102.9 -179.68 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -128.29 167.43 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.1 pttm -48.28 164.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.5 tpp85 -37.4 157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 63.04 39.19 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -146.27 -175.15 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 157.33 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 50.7 m95 -47.16 161.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.493 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 31.0 mtp180 -138.51 126.36 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.6 mm? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.461 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 33.17 -117.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.844 ' O ' HD12 ' A' ' 42' ' ' ILE . 26.1 mt -144.74 137.69 13.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.2 Cg_endo -69.79 157.27 60.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.538 ' N ' HD11 ' A' ' 42' ' ' ILE . 13.7 t -71.93 155.46 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.57 -24.99 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.55 -74.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 p -72.11 -27.27 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 5.8 mmmm 68.0 44.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -82.42 122.57 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.91 123.39 5.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.687 0.756 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 168.98 65.66 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.352 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.844 HD12 ' O ' ' A' ' 32' ' ' ILE . 16.7 mt -95.21 114.56 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.14 -56.6 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -58.79 177.71 1.94 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' GLY . 7.1 mmtm -49.83 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.4 m -118.46 100.11 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -94.87 154.4 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -156.95 132.14 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -77.13 115.53 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.407 ' HG1' ' HB ' ' A' ' 71' ' ' THR . 22.8 p -80.79 0.76 33.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -109.71 -25.84 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.7 m -98.73 -173.98 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.57 140.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 39.0 44.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CZ ' ' ND1' ' A' ' 67' ' ' HIS . 3.1 t80 -112.69 128.47 56.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.417 ' CD2' HD13 ' A' ' 32' ' ' ILE . 1.5 m80 -149.52 135.96 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.423 HD23 ' SG ' ' A' ' 34' ' ' CYS . 39.6 mt -125.34 171.01 10.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.7 p -111.04 142.74 42.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' CYS . 25.6 tp60 -34.9 -38.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -58.87 -64.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -53.72 -44.39 69.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -48.08 -43.55 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.62 -28.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -64.36 -18.63 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.769 ' C ' HD12 ' A' ' 68' ' ' LEU . 11.6 m-85 59.62 53.7 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.567 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.6 m -103.83 -67.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.539 ' ND1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t60 -92.09 -13.06 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.839 HD22 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -47.61 -17.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.563 ' N ' HD22 ' A' ' 68' ' ' LEU . 42.1 m -53.15 -43.96 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -75.62 173.23 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.407 ' HB ' ' HG1' ' A' ' 50' ' ' THR . 7.9 m -76.48 101.77 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -104.88 163.49 12.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -145.19 142.42 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 83' ' ' ARG . 28.0 p90 -107.89 155.27 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 27.7 mmm-85 -109.64 171.6 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 18.8 mt-10 -134.37 167.54 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -48.56 164.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' H ' ' CD ' ' A' ' 78' ' ' ARG . 10.7 mpt_? -38.61 160.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 3.2 m120 62.63 38.37 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.519 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 10.9 mm-40 -144.37 -176.32 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -150.34 159.56 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.585 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 97.0 m95 -45.02 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 74' ' ' PHE . 21.9 mtt-85 -151.29 132.59 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.797 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.4 mm? . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.89 -115.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.532 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.718 HD13 ' NE2' ' A' ' 56' ' ' HIS . 18.9 mt -142.94 138.78 16.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.7 157.17 61.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.603 ' SG ' HD23 ' A' ' 57' ' ' LEU . 10.7 t -66.22 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.76 -6.54 42.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.711 ' HB2' HD21 ' A' ' 57' ' ' LEU . 57.6 t30 -103.86 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.84 -17.72 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 62.12 45.07 7.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -85.95 119.58 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.76 122.99 5.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.696 0.76 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 163.41 81.93 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.3 0.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.552 HD11 ' N ' ' A' ' 34' ' ' CYS . 35.3 mt -88.72 109.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -57.61 -57.28 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.46 -170.34 3.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -64.69 175.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.82 112.4 24.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.22 154.91 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -147.72 137.03 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 30.4 t -82.5 128.18 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 p -89.66 -1.28 57.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.64 -22.9 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.9 m -101.2 -174.35 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' GLU . 73.8 mt -119.11 142.32 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 38.05 39.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.692 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 6.4 t80 -109.36 128.96 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.718 ' NE2' HD13 ' A' ' 32' ' ' ILE . 1.9 m80 -146.83 131.42 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.711 HD21 ' HB2' ' A' ' 36' ' ' ASN . 18.2 mt -116.31 169.2 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.1 p -110.47 143.62 40.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 18.1 tp60 -32.96 -38.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -63.06 -65.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.457 ' HB3' HD22 ' A' ' 57' ' ' LEU . 15.4 m -50.95 -41.11 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -50.07 -39.26 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.11 -28.22 67.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 m -54.31 -26.98 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.942 ' HA ' HD13 ' A' ' 68' ' ' LEU . 3.5 m-85 59.5 54.17 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.0 t -118.69 -47.33 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.692 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -88.93 -12.62 41.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.942 HD13 ' HA ' ' A' ' 65' ' ' TYR . 8.2 mp -42.77 -29.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -31.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -101.75 152.76 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 m -71.77 104.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.6 m-85 -95.06 170.79 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -145.62 131.38 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 p90 -106.03 140.33 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.575 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -106.83 -179.82 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 80' ' ' GLN . 19.3 mm-40 -127.5 167.28 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' ARG . 49.3 pttt -48.55 163.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' LYS . 20.6 mmt85 -37.47 155.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.49 39.31 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 26.8 mm100 -146.32 -175.1 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -143.97 153.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 86.6 m95 -46.64 161.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.585 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 28.1 mtt-85 -138.57 123.99 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.818 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.9 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.82 -117.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.59 HD13 ' NE2' ' A' ' 56' ' ' HIS . 24.9 mt -143.94 132.86 11.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.657 0.741 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 160.06 51.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.4 t -66.26 153.13 43.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' HIS . 10.6 t-20 -96.02 -23.18 16.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.91 -74.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -74.72 -26.34 59.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 68.26 41.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.3 tt0 -77.73 118.2 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -147.03 128.62 7.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.79 160.68 87.72 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.345 -0.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' ILE . 23.6 mt -87.22 84.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -44.59 -47.64 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -72.82 -172.24 21.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -62.26 177.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.408 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 11.0 t -120.3 133.3 55.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 1.2 m-85 -133.53 154.64 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 16.8 pttp -154.53 152.45 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 22.3 t -88.92 128.13 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 p -89.16 10.85 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -119.8 -27.56 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 -174.99 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mm -119.93 132.94 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 47.22 54.54 9.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -126.34 127.65 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.59 ' NE2' HD13 ' A' ' 32' ' ' ILE . 16.3 m80 -148.31 133.43 18.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.88 -178.64 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' GLN . 30.4 p -125.3 147.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 tp60 -34.49 -38.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.5 -68.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.7 m -51.91 -29.1 18.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.625 ' CE1' HD21 ' A' ' 68' ' ' LEU . 27.6 t80 -68.07 -33.26 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.01 -29.47 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.3 t -78.66 -20.81 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 17.1 m-85 52.71 51.56 15.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.5 t60 -70.35 -12.15 61.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -41.52 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' HIS . 56.3 m -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.65 177.11 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -81.25 109.91 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -109.67 165.53 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 p -150.64 134.13 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.9 p90 -104.82 148.66 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.589 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -113.54 177.15 4.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 mm-40 -124.8 167.56 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.0 pttt -48.23 164.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.3 mpt_? -36.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 64.18 37.43 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 47.3 mm-40 -148.24 170.27 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 161.58 29.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 74.2 m95 -50.01 172.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.588 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 20.3 mtt-85 -152.84 134.71 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 31' ' ' GLY . 12.2 mt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.97 -116.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 33' ' ' PRO . 18.6 mt -144.36 139.08 15.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.74 157.38 60.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.0 t -65.85 150.18 49.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 55' ' ' TYR . 3.2 m120 -95.95 -10.48 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -100.75 -71.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 24.8 p -81.22 -16.4 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 36.8 tt0 -77.67 119.01 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.5 t80 -146.8 124.77 6.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.74 168.6 66.81 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.319 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 42' ' ' ILE . 25.9 mt -95.08 91.05 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -43.92 -57.58 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -65.26 -173.83 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -59.74 178.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.06 134.47 54.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' A' ' 62' ' ' PHE . 3.2 m-85 -128.94 140.83 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -136.34 135.91 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 34.3 t -82.73 127.62 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -89.1 1.29 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -113.0 -23.9 9.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 m -99.2 -177.54 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' GLU . 81.3 mt -112.98 140.11 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' ILE . 14.1 pt-20 34.79 40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.826 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 12.4 t80 -109.01 129.91 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.583 ' NE2' HD13 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -149.27 134.37 18.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.839 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 61' ' ' CYS . 28.4 mt -113.38 162.74 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -107.42 147.54 30.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' CYS . 31.4 tp60 -33.38 -41.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.51 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.518 ' HB3' HD22 ' A' ' 57' ' ' LEU . 10.9 m -54.64 -41.24 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 12.4 t80 -53.54 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -51.42 -28.65 13.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -57.45 -31.31 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.8 m-85 60.7 54.93 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -117.89 -63.0 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.826 ' CD2' ' CE1' ' A' ' 55' ' ' TYR . 2.8 t-80 -59.66 -10.54 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 65' ' ' TYR . 12.7 mt -40.33 -37.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' LEU . 16.8 m -35.02 -41.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -93.9 165.78 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.5 m -82.33 112.57 19.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.8 m-85 -107.11 163.44 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 p -146.22 133.48 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.4 p90 -104.76 142.95 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 ptt180 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -126.87 167.15 16.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' ARG . 21.4 pttt -48.5 164.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.1 mmt85 -35.93 154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 77.8 m-20 64.29 39.57 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 79' ' ' ASN . 17.4 mm-40 -150.94 163.13 39.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -118.11 170.06 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.498 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 92.6 m95 -64.5 169.21 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.474 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 27.4 mtp180 -146.36 138.43 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.795 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.97 -117.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.79 ' O ' HD12 ' A' ' 42' ' ' ILE . 20.1 mt -144.34 139.25 15.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.1 Cg_endo -69.81 160.22 50.5 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.526 ' N ' HD11 ' A' ' 42' ' ' ILE . 17.3 t -68.01 152.67 45.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' HIS . 21.4 t-20 -94.82 -17.78 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -96.32 -73.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.6 p -74.21 -25.1 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.1 mmmp? 67.03 43.0 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 19.8 tt0 -81.97 122.01 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.65 128.08 7.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.8 167.64 70.44 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.33 0.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 32' ' ' ILE . 12.2 mt -94.2 88.65 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -49.55 -53.0 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -66.64 -175.99 7.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -55.75 172.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.34 104.5 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 7.6 m-85 -101.81 154.91 18.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.1 150.22 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 35.9 t -91.08 123.52 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -86.58 8.18 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -117.19 -26.38 6.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.4 m -95.89 -175.31 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.455 HG22 ' HG3' ' A' ' 54' ' ' GLU . 33.9 mm -118.19 134.31 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' HG3' HG22 ' A' ' 53' ' ' ILE . 13.9 mt-10 45.07 42.73 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.63 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 5.8 t80 -112.36 126.17 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' ASN . 20.8 m80 -144.23 134.7 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 ' SG ' ' A' ' 34' ' ' CYS . 15.1 mt -114.8 -179.12 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -126.06 154.51 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 8.1 tp60 -42.42 -37.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.32 -69.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.2 m -51.47 -34.3 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' HD21 ' A' ' 68' ' ' LEU . 27.7 t80 -60.55 -35.2 75.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.57 -29.09 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.4 t -76.71 -21.81 54.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 11.2 m-85 56.8 42.22 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 t -80.75 -62.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.63 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -73.59 -12.82 60.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.633 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 24.2 m -46.67 -35.62 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -94.14 -179.61 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -87.2 104.65 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.5 m-85 -102.65 169.81 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 p -153.69 136.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 13.1 p90 -104.88 147.18 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 6.1 mtm180 -101.92 179.23 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -134.35 167.91 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 21.9 pttp -48.09 163.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 tpp85 -37.39 155.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 57.5 t30 65.1 43.65 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 27.8 mm100 -147.96 -175.04 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 160.08 43.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.2 m95 -48.83 151.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 17.2 mtp85 -131.78 134.72 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.8 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.762 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 31' ' ' GLY . 55.9 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 31.27 -110.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.661 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.9 mt -142.2 138.81 17.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.77 165.49 30.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.642 ' N ' HD11 ' A' ' 42' ' ' ILE . 16.8 t -64.36 155.64 31.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.549 ' OD1' ' CE2' ' A' ' 55' ' ' TYR . 1.9 t-20 -95.44 -13.4 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -103.51 -73.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 31.1 p -83.37 4.06 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 35.6 mmtt 42.27 31.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 30.6 tt0 -61.18 118.73 7.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -146.37 130.03 8.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.1 Cg_endo -69.76 169.42 63.4 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.296 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.727 ' O ' HG22 ' A' ' 42' ' ' ILE . 20.5 mt -98.46 76.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -42.13 -54.37 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.89 -175.61 2.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -58.05 169.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.6 m -120.32 103.23 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 5.9 m-85 -97.15 152.58 18.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.953 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -141.23 133.07 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 20.7 t -76.95 127.02 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 p -90.94 7.0 42.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.59 -28.12 6.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.3 m -95.22 -174.47 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 37.3 mm -114.37 129.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 15.4 pt-20 45.56 41.73 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.696 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.6 t80 -105.34 126.84 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -141.85 134.19 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 72' ' ' PHE . 21.1 mt -115.72 172.53 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.5 p -116.32 147.49 41.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.5 tp60 -35.46 -35.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.8 tt0 -65.19 -63.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.2 m -56.4 -27.47 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -70.51 -22.58 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.96 -22.06 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -78.02 -19.82 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.506 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 54.28 34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.38 -48.94 10.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.696 ' CD2' ' CE1' ' A' ' 55' ' ' TYR . 4.8 t-80 -85.48 -11.43 54.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -42.18 -22.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -49.79 -20.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.69 149.15 38.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -68.57 106.82 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -95.33 179.47 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 84' ' ' SER . 8.5 p -151.78 129.12 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 30.6 p90 -104.68 157.73 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.591 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 3.2 mmm180 -101.19 172.06 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -125.83 166.78 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' ARG . 4.2 ptpp? -49.25 163.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.9 mmm180 -37.22 156.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.42 35.41 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -145.26 168.31 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 173.53 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.591 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 94.8 m95 -51.16 174.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.585 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.4 mmp_? -140.88 135.51 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 73' ' ' THR . 60.2 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.28 -114.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.602 ' O ' HD12 ' A' ' 42' ' ' ILE . 17.3 mt -142.35 137.98 16.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.79 169.79 18.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 12.7 t -84.54 156.34 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.44 -30.43 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.69 -75.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -72.33 -28.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 13.8 mmmt 68.56 42.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 tt0 -80.48 121.5 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.2 t80 -147.07 123.58 5.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 165.88 75.6 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.319 0.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 32' ' ' ILE . 16.9 mt -92.28 107.82 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.58 -57.26 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.38 -169.75 3.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -58.35 175.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.15 93.63 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 16.7 m-85 -84.18 147.82 27.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -141.14 136.43 31.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.3 t -85.42 124.14 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 p -86.98 5.64 36.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.59 -24.6 7.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 12.4 m -98.62 -179.57 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.0 138.92 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 39.6 42.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.785 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 21.7 t80 -117.28 131.63 56.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.492 ' CE1' HG21 ' A' ' 32' ' ' ILE . 2.6 m80 -149.12 136.51 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 61' ' ' CYS . 15.8 mt -113.81 162.69 16.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.4 p -109.58 148.02 32.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' CYS . 24.0 tp60 -33.47 -43.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -62.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.505 ' HB3' HD22 ' A' ' 57' ' ' LEU . 21.0 m -54.14 -32.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -58.5 -42.11 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -24.95 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -59.87 -35.21 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.624 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.7 m-85 62.2 54.93 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.5 m -118.97 -65.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.785 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -58.22 -11.46 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.624 HD11 ' CG ' ' A' ' 65' ' ' TYR . 31.9 mt -41.13 -36.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.5 m -35.99 -36.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -98.36 164.9 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.3 m -79.6 108.14 12.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 5.4 m-85 -105.25 166.51 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 p -152.75 141.99 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 2.4 p90 -105.03 140.33 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.61 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -105.11 144.09 32.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -85.3 167.22 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' ARG . 19.4 pttm -48.67 164.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 18.6 mmt85 -37.3 157.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 63.42 36.64 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.8 -176.63 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -133.33 163.08 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 75.1 m95 -50.75 169.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 8.4 mmm180 -141.72 153.2 44.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' GLY . 20.7 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.865 0.364 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.45 -111.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.686 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.4 mt -144.17 139.5 15.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.8 Cg_endo -69.7 165.32 31.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.51 ' N ' HD11 ' A' ' 42' ' ' ILE . 16.4 t -75.56 152.31 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.467 ' HB3' ' CE1' ' A' ' 55' ' ' TYR . 3.4 m120 -95.47 -21.35 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -91.04 -74.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.5 p -74.2 -27.18 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 4.2 mmmm 68.81 43.48 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.9 tt0 -83.72 122.63 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -147.0 126.67 6.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.694 0.759 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 168.56 66.95 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.352 -0.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 32' ' ' ILE . 26.5 mt -95.49 83.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -43.53 -46.9 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -71.21 175.94 38.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -52.21 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.474 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 96.8 m -120.23 139.39 52.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 2.0 m-85 -136.56 149.86 48.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HD2' ' CH2' ' A' ' 82' ' ' TRP . 8.3 ptmm? -145.15 148.87 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.1 t -90.56 117.19 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -80.59 10.31 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -120.05 -28.51 5.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.0 m -96.18 -174.73 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -119.22 138.18 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 42.03 54.49 4.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 8.0 t80 -127.28 132.95 50.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.598 ' NE2' HD13 ' A' ' 32' ' ' ILE . 14.8 m80 -149.29 135.67 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -112.62 178.44 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLU . 29.7 p -124.15 145.4 49.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' CYS . 27.2 tp60 -34.1 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -62.8 -69.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.5 m -51.37 -28.36 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 23.3 t80 -65.01 -30.28 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -28.63 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.5 m -80.6 -16.09 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 7.6 m-85 51.12 47.29 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.22 -63.8 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.648 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -76.71 -12.17 59.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 1.2 mm? -42.06 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' HIS . 69.2 m -47.1 -26.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -104.02 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 m -85.47 102.09 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.4 m-85 -101.54 165.77 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -145.44 132.16 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 2.8 p90 -105.11 146.01 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.0 ptt180 -111.51 -179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.6 mm-40 -131.77 169.71 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 78' ' ' ARG . 1.9 pptp? -46.55 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.5 tpt180 -39.12 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 63.0 t30 67.78 28.47 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 26.6 mm100 -136.41 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -146.42 152.24 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 87.8 m95 -47.44 163.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 6.9 mtp85 -143.4 141.32 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' GLY . 84.3 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.12 -112.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.717 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.7 mt -143.82 139.56 16.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.8 Cg_endo -69.79 158.06 58.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.636 ' N ' HD11 ' A' ' 42' ' ' ILE . 13.4 t -65.42 146.04 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -94.4 -5.42 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.574 ' HB2' HD21 ' A' ' 57' ' ' LEU . 12.4 t30 -104.33 -71.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 22.1 p -80.07 -20.76 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 34.4 mmtm 66.74 42.7 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.0 tt0 -83.66 119.92 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -145.79 127.66 7.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 164.86 78.22 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 -1.809 . . . . 0.0 112.34 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 42' ' ' ILE . 23.4 mt -91.37 82.98 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -42.53 -50.26 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -69.77 -174.65 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HZ3' ' HA ' ' A' ' 76' ' ' GLU . 9.4 mmtt -60.05 170.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 92.7 m -115.22 111.64 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 1.8 m-85 -100.54 154.32 18.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 12.6 ttpt -144.51 133.95 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 44.5 t -81.6 124.73 29.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 71' ' ' THR . 10.4 p -88.34 11.76 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.5 -26.72 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 67.4 m -98.57 -174.61 2.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.03 130.09 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 50.43 38.86 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.607 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 4.9 t80 -107.58 130.39 54.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.556 ' NE2' HD13 ' A' ' 32' ' ' ILE . 4.1 m80 -147.03 132.58 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 36' ' ' ASN . 13.4 mt -113.87 166.07 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLU . 27.5 p -110.94 147.81 33.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.0 tp60 -35.69 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' CYS . 9.3 tt0 -68.44 -68.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.405 ' CB ' HD22 ' A' ' 57' ' ' LEU . 51.8 m -50.99 -26.54 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.67 -29.96 67.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -60.82 -27.04 67.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 p -73.11 -17.97 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.497 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 51.55 39.81 25.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.11 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t60 -71.0 -11.42 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -41.78 -24.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -47.26 -26.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -109.86 150.24 28.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 50' ' ' THR . 8.8 m -66.58 101.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.477 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.2 m-85 -92.55 170.9 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -146.12 137.83 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.655 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 14.9 p90 -104.85 157.84 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.619 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -121.11 135.61 55.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.555 ' HA ' ' HZ3' ' A' ' 45' ' ' LYS . 37.3 mt-10 -81.86 166.8 19.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 22.4 pttm -49.16 164.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 16.0 mmt85 -37.63 155.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 67.33 33.65 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 72.4 mm-40 -144.75 171.95 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' H ' ' NH2' ' A' ' 83' ' ' ARG . 19.1 mttp -124.45 170.88 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 21.3 m95 -69.64 170.92 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.655 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 5.7 ptp180 -175.4 140.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 31' ' ' GLY . 59.8 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.849 0.356 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 31.47 -106.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 33' ' ' PRO . 12.8 mt -142.41 138.48 16.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.77 166.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.635 ' SG ' HD23 ' A' ' 57' ' ' LEU . 10.1 t -79.61 152.91 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.74 -28.6 14.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.654 ' HB2' HD21 ' A' ' 57' ' ' LEU . 3.0 t30 -83.26 -75.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.8 p -72.53 -28.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 16.8 mmmt 69.71 41.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.441 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 65.5 tt0 -82.35 121.04 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -147.06 124.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.7 168.55 66.84 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.383 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 32' ' ' ILE . 36.7 mt -94.66 136.0 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -92.8 -47.84 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 178.3 20.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -51.69 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.86 108.36 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -109.08 145.28 35.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HD2' ' CH2' ' A' ' 82' ' ' TRP . 9.2 ptmt -150.05 131.54 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 16.0 t -73.51 129.2 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 p -90.02 2.98 54.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -112.74 -31.48 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.3 m -88.92 -174.78 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -115.34 134.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.44 43.1 2.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.657 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 4.2 t80 -105.48 128.68 53.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.494 ' CD2' HD13 ' A' ' 32' ' ' ILE . 5.8 m80 -146.26 129.14 16.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 36' ' ' ASN . 14.1 mt -116.98 167.37 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -111.65 142.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -33.82 -40.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -59.25 -58.82 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.44 ' CB ' HD22 ' A' ' 57' ' ' LEU . 8.2 m -58.22 -41.55 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -49.78 -45.72 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 2.9 t0 -51.72 -23.78 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -61.24 -31.83 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.912 ' HA ' HD13 ' A' ' 68' ' ' LEU . 4.3 m-85 63.73 51.07 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 73.8 m -112.83 -56.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.657 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t-160 -83.14 -13.24 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.912 HD13 ' HA ' ' A' ' 65' ' ' TYR . 7.7 mp -42.43 -33.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -83.28 162.29 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.5 m -75.3 108.38 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.5 m-85 -106.18 160.75 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 p -135.96 127.2 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 11.1 p90 -105.16 144.52 31.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 7.2 mtm180 -101.26 -179.84 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -132.72 167.82 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 21.0 pttp -48.13 164.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mmt180 -37.08 155.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 63.9 46.77 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 13.5 mm-40 -150.0 -176.61 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -146.64 155.59 42.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.9 m95 -43.32 161.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.456 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 22.7 mtp85 -140.73 127.13 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.81 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 31' ' ' GLY . 12.2 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.85 -102.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 33' ' ' PRO . 17.7 mt -143.48 138.92 15.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.77 165.74 29.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.361 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.57 ' N ' HD11 ' A' ' 42' ' ' ILE . 23.1 t -69.8 156.63 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -96.99 -18.44 19.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.92 -74.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 30.2 p -83.31 4.24 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 23.4 mmtm 43.29 28.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 57.9 tt0 -57.09 117.73 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.89 129.38 7.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.73 169.27 64.05 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.313 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 42' ' ' ILE . 23.8 mt -97.11 75.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -40.67 -57.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.488 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -61.93 173.89 7.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -47.16 169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -120.47 122.52 40.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 2.6 m-85 -119.86 153.49 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.522 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.0 ptmm? -147.19 144.23 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 38.5 t -82.98 127.09 33.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -92.38 10.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -118.83 -27.08 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.04 -175.02 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.505 HG22 ' HG3' ' A' ' 54' ' ' GLU . 41.9 mm -116.73 132.22 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HG3' HG22 ' A' ' 53' ' ' ILE . 32.7 mt-10 45.05 51.82 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -120.63 132.4 55.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.585 ' NE2' HD13 ' A' ' 32' ' ' ILE . 31.3 m80 -147.82 140.82 24.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' CE2' ' A' ' 72' ' ' PHE . 14.9 mt -121.27 175.7 6.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.5 p -121.74 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.4 tp60 -36.56 -41.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.55 -67.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 m -50.68 -31.21 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.686 ' CE1' HD21 ' A' ' 68' ' ' LEU . 30.8 t80 -66.11 -33.88 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.53 -25.65 38.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -81.87 -16.09 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 48.41 45.16 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.15 -62.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.3 t60 -73.68 -12.23 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.686 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -42.0 -23.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 61.6 m -44.35 -27.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -103.69 175.67 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 m -81.84 108.05 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -106.76 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -147.45 131.59 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 8.8 p90 -104.87 144.05 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.581 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 9.1 mtt180 -101.59 177.76 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -132.05 168.71 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -46.86 163.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.6 tpt85 -39.67 152.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.549 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 47.4 t30 70.46 34.18 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 79' ' ' ASN . 74.6 mm-40 -140.8 -175.09 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 82' ' ' TRP . 23.8 mmmt -145.38 159.9 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 96.4 m95 -43.94 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.605 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 7.8 mmt85 -140.75 145.04 35.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.776 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.0 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 15.92 -113.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.593 HG23 ' HD2' ' A' ' 33' ' ' PRO . 21.1 mt -142.79 137.76 15.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.72 154.45 67.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' N ' HD11 ' A' ' 42' ' ' ILE . 8.4 t -67.48 149.34 50.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 4.3 t30 -95.56 -15.74 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.566 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.2 t30 -95.12 -73.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.1 p -77.08 -24.6 51.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 39.0 mmtt 70.09 40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 24.0 tt0 -81.54 118.28 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.8 t80 -146.6 127.24 7.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 168.31 67.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.591 HD11 ' N ' ' A' ' 34' ' ' CYS . 29.6 mt -99.41 102.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.87 -39.77 95.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.63 -176.34 39.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.67 175.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -120.73 100.23 6.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -94.5 152.49 18.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 32.0 ttmt -146.81 140.46 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 t -87.82 131.19 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -91.08 3.64 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -114.44 -25.89 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 m -95.84 -175.02 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -116.08 134.18 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 41.66 41.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.732 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 5.4 t80 -104.54 132.16 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.532 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 1.9 m80 -149.33 129.21 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 36' ' ' ASN . 16.9 mt -112.49 154.72 25.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.1 p -99.6 148.55 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.1 tp60 -35.95 -41.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.417 ' HB3' HD22 ' A' ' 57' ' ' LEU . 5.7 m -56.11 -42.87 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.88 -39.56 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.06 -27.13 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -61.48 -30.2 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CD2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-85 58.3 55.06 5.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -115.26 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.732 ' CD2' ' CE1' ' A' ' 55' ' ' TYR . 3.1 t-80 -61.48 -10.35 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 65' ' ' TYR . 9.9 mt -40.3 -34.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' LEU . 24.3 m -37.07 -43.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -93.33 168.36 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.2 m -84.47 111.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.2 m-85 -104.91 167.3 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -150.62 138.74 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 5.4 p90 -104.78 149.21 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 1.4 ptp85 -109.23 -179.29 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.524 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.2 mt-10 -134.13 168.69 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 1.8 mtmp? -47.6 164.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 10.9 mpt_? -37.05 156.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 64.37 42.23 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 28.4 mm-40 -146.33 -179.21 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -145.39 153.22 40.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 55.8 m95 -46.24 173.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.586 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -172.8 136.41 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.812 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.1 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.31 -119.64 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.704 ' O ' HD12 ' A' ' 42' ' ' ILE . 22.1 mt -145.33 138.36 14.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.68 155.31 66.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.496 ' SG ' HD23 ' A' ' 57' ' ' LEU . 13.0 t -69.71 153.99 42.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -95.93 -27.4 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -86.14 -74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.1 p -71.94 -28.96 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 22.1 mmtp 68.66 46.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.3 tt0 -87.67 121.13 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.516 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.7 126.29 6.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.707 0.765 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 167.19 72.08 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.32 0.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 32' ' ' ILE . 44.6 mt -93.69 109.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.77 -57.52 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.28 -179.38 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -54.95 -179.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -119.5 125.76 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 2.2 m-85 -123.48 152.12 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 17.1 pttt -152.32 145.17 24.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 49.4 t -83.38 120.13 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 p -81.14 7.56 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -114.3 -31.65 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -95.02 -174.53 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -122.26 133.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 51.83 48.0 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 7.9 t80 -125.41 105.97 9.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.485 ' CD2' HD13 ' A' ' 32' ' ' ILE . 7.1 m80 -130.01 132.66 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.81 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 34' ' ' CYS . 54.7 mt -113.23 -178.77 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.9 p -120.25 147.17 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.494 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 18.1 tp60 -34.38 -41.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.48 -69.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.7 m -47.69 -44.32 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -48.65 -39.12 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.42 -34.07 60.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 t -63.53 -23.46 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.614 ' CG ' HD13 ' A' ' 68' ' ' LEU . 5.5 m-85 61.37 31.23 19.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.01 -75.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.409 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.3 t60 -76.73 -12.91 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD13 ' CG ' ' A' ' 65' ' ' TYR . 4.5 tt -42.39 -25.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -43.36 -43.66 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -82.26 166.22 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 m -70.0 112.92 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.0 m-85 -111.03 163.47 13.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 84' ' ' SER . 17.3 p -146.3 133.58 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 5.6 p90 -104.7 152.59 22.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -115.15 176.39 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.6 mt-10 -126.08 169.32 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 16.8 mttp -46.77 163.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 11.8 tpp180 -37.73 158.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 3.3 m-20 63.24 39.8 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.513 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 7.0 mm-40 -143.26 -175.2 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -143.84 151.02 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 73.2 m95 -47.74 162.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 13.5 mtp180 -142.21 132.05 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 73' ' ' THR . 70.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 41' ' ' PRO . 3.7 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.95 -104.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 33' ' ' PRO . 17.8 mt -141.46 140.14 20.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.0 Cg_endo -69.85 169.94 17.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' HD23 ' A' ' 57' ' ' LEU . 12.2 t -81.88 154.43 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.72 -28.73 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' A' ' 57' ' ' LEU . 23.1 t30 -83.61 -74.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.5 p -73.37 -28.45 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 18.2 mmmt 68.71 43.43 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.425 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 23.5 tt0 -82.9 119.53 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.68 127.52 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 164.6 78.98 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 0.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 32' ' ' ILE . 18.1 mt -91.6 124.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 44' ' ' GLY . 3.2 pm0 -89.08 -32.63 17.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 43' ' ' GLU . . . -85.22 173.1 48.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -46.78 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 75' ' ' ARG . 42.8 t -114.69 111.19 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 40.2 m-85 -109.26 152.84 24.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.2 tttm -142.75 141.87 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 33.9 t -84.2 117.79 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 p -81.38 2.81 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.39 -25.34 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.7 m -100.34 -175.05 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.0 mt -120.41 137.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 45.2 54.98 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -127.19 133.96 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.544 ' NE2' HD13 ' A' ' 32' ' ' ILE . 14.1 m80 -149.61 135.81 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 ' SG ' ' A' ' 34' ' ' CYS . 16.3 mt -118.72 166.25 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' GLN . 25.7 p -112.64 150.45 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.1 tp60 -37.35 -42.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.54 -64.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -54.42 -36.22 63.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 23.4 t80 -60.34 -32.56 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.68 -28.83 61.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -77.65 -25.21 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 16.1 m-85 57.83 44.18 20.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -81.38 -65.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 t60 -72.17 -12.04 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -41.46 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' HIS . 48.6 m -45.09 -30.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -99.55 172.33 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.6 m -80.06 101.99 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.6 m-85 -99.7 169.81 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -153.76 138.78 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 19.4 p90 -104.67 146.09 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -100.71 179.94 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 75' ' ' ARG . 49.3 mt-10 -132.97 166.81 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.41 162.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -38.46 155.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 65.88 35.8 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -145.17 173.44 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.23 158.04 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.599 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 70.6 m95 -47.76 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 26.4 mtp180 -147.79 144.19 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.835 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 30.7 -112.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 33' ' ' PRO . 21.4 mt -143.25 138.49 15.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.76 165.25 31.61 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.492 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.6 t -73.29 150.97 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.7 -13.24 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 11.7 t30 -98.31 -73.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 25.1 p -78.29 -18.51 55.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 36' ' ' ASN . 1.4 mptp? 62.61 40.45 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.407 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 17.0 tt0 -78.79 119.93 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.28 126.18 6.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 164.64 78.67 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.386 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 32' ' ' ILE . 22.1 mt -89.66 93.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.61 -57.21 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.8 -168.85 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 76' ' ' GLU . 6.8 mmtt -63.69 179.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.8 m -118.63 107.59 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.9 m-85 -97.16 154.99 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.651 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -156.42 137.0 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.9 t -80.9 128.05 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 p -89.91 5.86 44.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.22 -26.0 7.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -94.64 -175.67 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 mm -119.77 132.2 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 48.6 49.07 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.462 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 4.8 t80 -119.53 127.91 53.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -146.33 132.07 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 57' ' ' LEU . 18.3 mt -119.41 168.57 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 60' ' ' GLU . 26.8 p -113.38 144.7 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' CYS . 22.1 tp60 -33.36 -34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 6.2 tt0 -65.92 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.64 -28.42 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.709 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 25.3 t80 -62.58 -39.63 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.57 -18.42 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -65.6 -27.72 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.98 ' HA ' HD13 ' A' ' 68' ' ' LEU . 3.3 m-85 58.97 53.93 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 t -115.61 -45.23 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t60 -95.28 -13.64 24.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.98 HD13 ' HA ' ' A' ' 65' ' ' TYR . 6.9 mp -43.28 -29.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -41.58 -46.02 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -81.43 168.14 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -79.73 110.59 15.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.8 m-85 -110.01 164.15 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 84' ' ' SER . 41.1 p -154.03 138.09 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 83' ' ' ARG . 42.4 p90 -106.16 160.66 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 82' ' ' TRP . 6.9 mmt180 -107.4 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.9 mp0 -134.61 167.78 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 12.5 pttp -48.1 163.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 2.0 tpp180 -38.07 156.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 64.91 43.06 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 15.5 mm-40 -147.75 176.29 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -147.08 148.03 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.651 ' CH2' ' CD ' ' A' ' 48' ' ' LYS . 97.0 m95 -34.38 151.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 74' ' ' PHE . 54.2 mtp180 -131.16 132.4 44.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.506 ' HA ' HG22 ' A' ' 73' ' ' THR . 71.6 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.31 -113.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.699 ' O ' HD12 ' A' ' 42' ' ' ILE . 25.4 mt -141.79 139.52 18.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.3 Cg_endo -69.82 164.45 34.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 57' ' ' LEU . 14.3 t -75.16 148.2 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.35 -10.79 31.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.664 ' HB2' HD21 ' A' ' 57' ' ' LEU . 1.1 t30 -100.65 -72.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 17.9 p -77.12 -24.86 51.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 42.3 mmtt 69.17 42.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.0 tt0 -83.92 121.48 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.67 127.45 7.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 166.41 74.14 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.379 -0.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 32' ' ' ILE . 12.2 mt -91.72 105.86 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.81 -57.22 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.78 179.39 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -52.76 179.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -119.94 112.98 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 53.9 m-85 -115.33 148.14 39.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 21.6 pttt -146.21 141.62 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 37.8 t -78.8 126.8 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.9 p -87.96 5.56 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -115.61 -26.58 7.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -94.7 -173.77 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' GLU . 48.0 mm -115.13 138.42 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ILE . 17.3 pt-20 37.03 39.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 5.0 t80 -104.97 119.64 39.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . 7.0 m80 -140.71 131.4 25.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.664 HD21 ' HB2' ' A' ' 36' ' ' ASN . 25.5 mt -112.58 -178.52 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.1 p -123.64 145.28 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.7 tp60 -33.85 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.29 -61.88 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 m -57.37 -39.46 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.98 -37.49 69.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.95 -37.6 66.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -65.13 -11.1 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.682 ' CG ' HD13 ' A' ' 68' ' ' LEU . 4.4 m-85 52.41 34.11 14.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 86.5 m -74.01 -75.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.1 t60 -75.22 -12.87 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 65' ' ' TYR . 3.1 tt -42.44 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' HIS . 66.5 m -45.51 -44.68 12.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -82.73 162.33 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -69.02 108.53 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.597 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -106.53 157.64 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 128.96 34.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 1.4 p90 -106.36 140.06 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.554 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -103.72 176.38 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -110.69 169.42 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 2.7 ptpp? -46.09 164.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 13.1 tpt180 -36.99 156.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.1 t-20 59.84 45.47 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mm100 -148.72 -175.78 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 2.8 mmmp? -127.71 -178.41 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.584 ' CH2' ' HD3' ' A' ' 48' ' ' LYS . 93.3 m95 -75.97 170.9 15.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 24.2 mtp85 -144.54 129.36 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.787 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.438 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 39.26 -101.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.726 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.8 mt -143.44 139.68 16.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.68 159.19 54.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.373 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.536 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.6 t -67.55 152.42 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -95.99 -23.51 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -88.21 -74.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.7 p -74.01 -27.32 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 20.7 mmmt 68.89 43.19 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 9.0 tt0 -83.53 123.0 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 2.0 t80 -146.95 125.5 6.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.71 167.89 69.25 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.371 -0.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.542 ' O ' HG22 ' A' ' 42' ' ' ILE . 28.1 mt -93.43 84.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -39.77 -57.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -67.68 -174.04 7.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -58.2 168.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.13 106.79 13.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.42 153.07 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -144.64 122.74 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 48.8 t -66.56 126.24 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -90.57 4.11 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -111.26 -24.83 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 m -101.33 -174.74 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.64 137.4 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 48.09 42.95 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -121.68 127.99 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.495 ' CE1' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -145.13 133.55 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD12 ' CE2' ' A' ' 72' ' ' PHE . 27.1 mt -114.83 165.88 12.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.8 p -112.31 149.03 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.7 tp60 -33.79 -44.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.17 -67.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -50.35 -38.95 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -54.57 -36.97 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -61.31 -21.46 63.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 t -64.7 -28.22 69.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CG ' HD22 ' A' ' 68' ' ' LEU . 5.5 m-85 57.95 50.7 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.13 -50.27 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -89.89 -12.37 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.681 HD22 ' CG ' ' A' ' 65' ' ' TYR . 9.4 mp -42.59 -25.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -36.65 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -92.18 158.42 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 m -74.8 107.63 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -98.55 176.29 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -151.54 134.68 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 83' ' ' ARG . 14.2 p90 -111.26 148.52 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.55 ' HG3' ' CD2' ' A' ' 82' ' ' TRP . 13.0 mtt180 -101.84 172.6 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.16 168.31 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ARG . 24.6 pttt -47.97 163.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' LYS . 12.7 tpp180 -36.54 155.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.8 m-80 63.91 42.55 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -149.91 -175.07 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 159.51 44.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.55 ' CD2' ' HG3' ' A' ' 75' ' ' ARG . 82.8 m95 -39.37 155.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 16.7 mtm180 -142.13 128.0 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -147.76 162.73 38.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 119.29 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.79 94.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 127.72 32.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -60.88 177.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.98 -89.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp 66.35 40.11 3.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.755 0.312 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -171.08 129.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -115.51 108.04 15.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -146.59 176.33 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.78 40.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.16 131.94 45.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -56.1 177.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -149.76 150.51 32.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.79 104.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -148.03 150.0 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.92 124.86 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.23 143.84 44.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.8 159.18 26.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.41 102.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.79 151.1 47.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -87.83 80.72 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -175.08 135.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HG3' HD21 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -46.32 111.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 26' ' ' LEU . 1.1 pt? -108.62 -32.29 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -131.56 165.14 24.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.99 39.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -117.13 28.99 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' A' ' 41' ' ' PRO . 4.1 mm? -67.66 -42.31 82.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.43 -104.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.676 HD13 ' NE2' ' A' ' 56' ' ' HIS . 15.4 mt -139.98 139.16 20.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.79 162.58 41.56 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.535 ' N ' HD11 ' A' ' 42' ' ' ILE . 18.1 t -71.31 152.35 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.59 -16.55 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -95.18 -73.74 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 22.3 p -77.47 -24.78 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 3.3 mmmm 70.33 37.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 17.6 tt0 -72.96 120.01 18.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.7 t80 -146.74 125.11 6.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.605 ' HB3' HD13 ' A' ' 30' ' ' LEU . 53.2 Cg_endo -69.77 168.69 66.64 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.316 0.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 42' ' ' ILE . 25.7 mt -95.8 77.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.37 -46.49 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -69.87 -179.67 25.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.63 173.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -120.25 116.02 24.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -115.93 154.91 28.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 10.0 ptmm? -149.8 147.59 28.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 36.1 t -88.03 124.43 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -89.04 15.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -123.14 -27.83 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.47 -175.52 3.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.7 mm -118.0 129.97 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 49.19 51.21 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.555 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 12.0 t80 -122.36 129.61 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.676 ' NE2' HD13 ' A' ' 32' ' ' ILE . 24.5 m80 -144.85 141.08 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD23 ' SG ' ' A' ' 34' ' ' CYS . 12.2 mt -121.12 174.81 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 p -121.53 158.58 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -44.56 -38.66 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -61.39 -67.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.9 m -53.38 -31.12 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' HZ ' HD13 ' A' ' 85' ' ' LEU . 24.5 t80 -65.71 -34.27 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -56.96 -23.59 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -83.89 -16.82 42.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 8.6 m-85 52.13 40.58 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.89 -59.83 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.555 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -78.1 -12.82 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -42.51 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 52.9 m -46.8 -33.3 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -97.01 172.42 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 m -78.8 102.98 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.9 m-85 -102.33 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -148.02 131.92 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 11.8 p90 -105.0 150.72 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 mtm180 -101.47 179.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -131.74 167.82 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.4 pttm -48.18 161.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 77' ' ' LYS . 9.1 mmt180 -35.34 153.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 5.9 m-20 64.42 43.15 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 79' ' ' ASN . 24.0 mm100 -150.21 166.87 28.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -126.98 158.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.585 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 92.7 m95 -43.83 165.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.583 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 11.8 mtp180 -144.03 144.92 31.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 m -81.54 115.98 21.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD13 ' HZ ' ' A' ' 62' ' ' PHE . 10.0 mt -66.01 156.69 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -84.35 158.76 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -75.92 51.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -75.78 86.51 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.81 93.13 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' VAL . 17.6 t70 -75.55 -56.99 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -42.78 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.3 p -123.96 -20.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.4 m -55.57 -57.48 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.73 84.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 96' ' ' SER . 54.1 Cg_endo -69.79 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 95' ' ' PRO . 4.3 m -32.01 -44.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -127.96 -68.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.505 -179.985 . . . . . . . . 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 -0.324 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -148.36 156.19 42.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 p -125.63 167.64 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.01 173.62 22.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -172.04 177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -167.2 172.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 167.13 116.03 0.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD22 ' C ' ' A' ' 7' ' ' GLY . 4.5 mm? -121.18 170.86 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.51 149.5 41.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.05 166.64 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -123.97 179.26 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -166.56 151.15 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -155.5 168.34 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -167.38 177.86 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.0 p -160.69 175.14 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.99 148.85 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -134.74 106.98 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -142.26 126.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.17 146.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.45 152.53 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.61 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -100.79 99.19 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 41.02 48.75 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -129.5 121.82 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HD3' HD23 ' A' ' 30' ' ' LEU . 3.0 ppt_? -121.67 -174.95 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -99.73 152.36 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.03 44.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.64 -57.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 18.3 p-80 -134.98 78.98 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.9 mt -65.56 -42.14 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.7 -117.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.691 ' O ' HD12 ' A' ' 42' ' ' ILE . 27.5 mt -144.9 135.79 12.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.78 158.18 57.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' HD23 ' A' ' 57' ' ' LEU . 15.8 t -66.56 152.84 44.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.35 -21.24 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.533 ' HB2' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.15 -73.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.7 p -73.47 -26.81 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 47.5 mmtt 68.55 42.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.2 tt0 -82.76 123.59 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.81 127.01 6.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 169.08 65.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.296 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 32' ' ' ILE . 20.7 mt -95.03 82.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -41.56 -52.88 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -67.89 -174.47 8.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -60.31 175.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.0 t -119.88 126.78 51.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 2.3 m-85 -117.54 153.9 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.3 ttpp -142.25 140.23 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 40.3 t -88.66 121.24 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 p -84.59 10.63 10.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -120.21 -26.97 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.5 m -97.19 -174.68 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' A' ' 54' ' ' GLU . 50.5 mm -112.18 130.94 64.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' HG2' HG22 ' A' ' 53' ' ' ILE . 17.1 pt-20 40.84 43.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.577 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 7.2 t80 -105.47 133.99 49.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 48' ' ' LYS . 4.5 m80 -147.49 144.59 28.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.606 HD23 ' SG ' ' A' ' 34' ' ' CYS . 12.6 mt -124.22 168.68 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.2 p -113.47 146.23 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -34.89 -38.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.33 -66.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' CB ' HD22 ' A' ' 57' ' ' LEU . 29.5 m -50.56 -35.13 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 27.8 t80 -63.18 -30.06 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.53 -25.23 62.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.3 t -84.07 -18.88 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 55.39 39.5 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.97 -60.07 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.577 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.7 t60 -75.49 -11.69 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.611 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -41.36 -28.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 m -42.5 -36.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -97.29 156.62 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -68.07 101.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -99.53 158.13 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -139.06 138.59 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 4.5 p90 -106.53 154.45 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.583 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -101.43 179.07 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 18.5 mt-10 -130.06 166.49 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' ARG . 15.9 pttm -48.93 165.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 8.4 tpt180 -37.11 160.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 2.5 p-10 51.24 53.52 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 57.2 mm-40 -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.87 156.17 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 29.0 m95 -59.4 171.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.424 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 5.6 ptm180 -174.39 160.87 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -58.44 158.77 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.674 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 7.3 mt -100.6 158.94 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.85 119.29 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -55.14 107.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -132.76 94.62 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.92 79.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.03 178.25 6.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.02 134.05 36.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 p -128.76 137.51 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -114.89 142.41 46.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.82 92.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.45 14.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t -153.76 162.65 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 t -156.64 159.29 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -117.72 139.7 50.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -52.83 -50.42 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.46 -110.62 2.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -165.74 132.41 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -174.72 137.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.71 -179.54 18.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -131.99 176.13 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.06 169.74 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -90.96 147.9 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.75 108.86 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -75.28 83.92 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -104.04 97.5 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.8 m -153.76 128.31 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 m -99.33 99.58 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.46 122.55 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.25 105.82 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 19' ' ' ALA . 14.4 p -89.65 154.0 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 18' ' ' VAL . . . -55.36 153.73 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.71 111.55 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 166.33 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -120.56 -59.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.91 145.81 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.43 104.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.93 157.69 24.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -103.43 86.15 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 3.3 t70 -49.43 -48.78 47.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -31.15 -53.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -132.27 92.81 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.9 mt -96.01 -41.34 8.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 36.71 -116.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 42' ' ' ILE . 20.3 mt -143.83 139.32 16.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.77 158.1 58.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.548 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.9 t -69.01 151.25 46.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.57 -12.65 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.94 -72.81 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.9 p -76.45 -22.3 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.8 mmmp? 67.16 40.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 33.3 tt0 -76.79 119.69 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.94 124.98 6.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.76 168.03 68.94 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.38 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 32' ' ' ILE . 13.1 mt -95.15 105.31 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -66.24 -49.99 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -68.33 -178.83 16.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -54.97 173.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 111.13 17.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 3.6 m-85 -107.02 153.79 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 28.0 tttm -142.43 144.24 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 46.6 t -88.15 118.49 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 p -82.47 9.89 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -119.06 -26.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -98.61 -174.85 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -119.49 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 50.4 52.24 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -123.58 131.04 53.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' HD13 ' A' ' 32' ' ' ILE . 10.4 m80 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 72' ' ' PHE . 15.9 mt -113.04 170.6 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.4 p -117.07 146.54 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 6.7 tp60 -34.67 -37.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.98 -68.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.8 m -51.46 -32.52 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 35.1 t80 -64.23 -30.47 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 t -82.48 -22.31 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 7.7 m-85 56.51 43.44 25.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.5 -57.95 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.1 t60 -80.71 -12.34 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -42.05 -23.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' HIS . 55.9 m -44.69 -32.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -96.92 176.76 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 m -84.91 102.24 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.2 m-85 -99.59 170.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -152.77 137.77 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 5.8 p90 -104.98 142.56 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.577 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.6 OUTLIER -102.9 -179.68 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -128.29 167.43 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.1 pttm -48.28 164.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.5 tpp85 -37.4 157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 63.04 39.19 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -146.27 -175.15 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 157.33 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 50.7 m95 -47.16 161.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.493 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 31.0 mtp180 -138.51 126.36 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -67.94 106.43 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.78 156.36 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.76 157.83 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -60.91 106.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -61.81 174.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.58 106.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -142.3 128.93 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.23 171.94 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.53 150.67 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -163.91 146.69 9.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.43 -85.92 0.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.555 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 105.24 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -77.81 149.58 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t -106.57 143.76 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.459 179.984 . . . . . . . . 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 -0.361 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t -127.32 127.34 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m -129.99 177.31 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.18 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -152.19 177.49 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.826 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -154.01 161.88 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.12 -152.36 10.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.59 179.49 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -127.32 169.83 13.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -99.76 150.09 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.88 177.4 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -104.75 165.09 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -65.77 174.75 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -119.01 178.43 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -63.7 173.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -106.58 174.5 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -129.9 160.91 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -130.13 144.39 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.1 166.18 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.13 148.56 37.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.48 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -137.5 161.43 36.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -46.36 117.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -117.31 99.75 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -137.35 108.97 6.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 27' ' ' ASP . 6.5 tt -113.59 -67.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.714 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.2 m-20 -59.79 147.46 38.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -83.4 33.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 3.1 t60 -134.96 89.42 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.6 mm? -67.28 -41.76 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA3' ' CE1' ' A' ' 29' ' ' HIS . . . 33.17 -117.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.844 ' O ' HD12 ' A' ' 42' ' ' ILE . 26.1 mt -144.74 137.69 13.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.2 Cg_endo -69.79 157.27 60.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.538 ' N ' HD11 ' A' ' 42' ' ' ILE . 13.7 t -71.93 155.46 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.57 -24.99 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.55 -74.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 p -72.11 -27.27 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 5.8 mmmm 68.0 44.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -82.42 122.57 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.91 123.39 5.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.687 0.756 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 168.98 65.66 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.352 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.844 HD12 ' O ' ' A' ' 32' ' ' ILE . 16.7 mt -95.21 114.56 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.14 -56.6 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -58.79 177.71 1.94 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' GLY . 7.1 mmtm -49.83 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 29' ' ' HIS . 82.4 m -118.46 100.11 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -94.87 154.4 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -156.95 132.14 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -77.13 115.53 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.407 ' HG1' ' HB ' ' A' ' 71' ' ' THR . 22.8 p -80.79 0.76 33.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -109.71 -25.84 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.7 m -98.73 -173.98 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.57 140.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 39.0 44.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CZ ' ' ND1' ' A' ' 67' ' ' HIS . 3.1 t80 -112.69 128.47 56.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.417 ' CD2' HD13 ' A' ' 32' ' ' ILE . 1.5 m80 -149.52 135.96 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.423 HD23 ' SG ' ' A' ' 34' ' ' CYS . 39.6 mt -125.34 171.01 10.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.7 p -111.04 142.74 42.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' CYS . 25.6 tp60 -34.9 -38.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -58.87 -64.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -53.72 -44.39 69.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -48.08 -43.55 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.62 -28.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -64.36 -18.63 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.769 ' C ' HD12 ' A' ' 68' ' ' LEU . 11.6 m-85 59.62 53.7 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.567 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.6 m -103.83 -67.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.539 ' ND1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t60 -92.09 -13.06 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.839 HD22 ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -47.61 -17.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.563 ' N ' HD22 ' A' ' 68' ' ' LEU . 42.1 m -53.15 -43.96 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -75.62 173.23 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.407 ' HB ' ' HG1' ' A' ' 50' ' ' THR . 7.9 m -76.48 101.77 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.439 ' C ' HD12 ' A' ' 85' ' ' LEU . 3.6 m-85 -104.88 163.49 12.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -145.19 142.42 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 83' ' ' ARG . 28.0 p90 -107.89 155.27 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 27.7 mmm-85 -109.64 171.6 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 18.8 mt-10 -134.37 167.54 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -48.56 164.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' H ' ' CD ' ' A' ' 78' ' ' ARG . 10.7 mpt_? -38.61 160.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 3.2 m120 62.63 38.37 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.519 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 10.9 mm-40 -144.37 -176.32 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -150.34 159.56 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.585 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 97.0 m95 -45.02 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 74' ' ' PHE . 21.9 mtt-85 -151.29 132.59 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.4 p -74.03 121.96 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 72' ' ' PHE . 10.6 mt -73.5 146.68 44.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -67.26 134.5 51.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.03 112.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -146.74 110.35 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.75 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.7 OUTLIER 45.38 43.26 8.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -123.54 136.09 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.5 t -93.67 148.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 t -55.93 148.03 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 95' ' ' PRO . . . 162.31 -145.36 10.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 94' ' ' GLY . 53.6 Cg_endo -69.71 164.72 33.42 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.8 m -95.46 104.08 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 t -56.51 -60.71 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -102.45 156.51 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -145.96 147.57 31.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.27 133.6 1.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -70.61 95.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -76.22 -35.19 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.5 49.93 17.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -147.6 127.8 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -168.95 124.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.05 154.28 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -119.61 85.83 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -166.36 120.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -169.72 120.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.4 p -162.25 105.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -168.53 138.31 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.87 160.44 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.05 149.71 26.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.76 83.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.94 147.43 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.23 160.57 14.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.67 159.7 24.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -150.72 157.87 43.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -127.35 89.31 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -172.85 136.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 175.35 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -159.9 157.76 29.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.3 t70 63.67 32.55 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.9 OUTLIER 32.45 35.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' ASP . 45.8 t60 -100.78 68.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.4 mm? -83.63 -41.98 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.89 -115.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.532 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.718 HD13 ' NE2' ' A' ' 56' ' ' HIS . 18.9 mt -142.94 138.78 16.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.7 157.17 61.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.603 ' SG ' HD23 ' A' ' 57' ' ' LEU . 10.7 t -66.22 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.76 -6.54 42.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.711 ' HB2' HD21 ' A' ' 57' ' ' LEU . 57.6 t30 -103.86 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.84 -17.72 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 62.12 45.07 7.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -85.95 119.58 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.76 122.99 5.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.696 0.76 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 163.41 81.93 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.3 0.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.552 HD11 ' N ' ' A' ' 34' ' ' CYS . 35.3 mt -88.72 109.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -57.61 -57.28 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.46 -170.34 3.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -64.69 175.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.82 112.4 24.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.22 154.91 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -147.72 137.03 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 30.4 t -82.5 128.18 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 p -89.66 -1.28 57.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.64 -22.9 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.9 m -101.2 -174.35 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' GLU . 73.8 mt -119.11 142.32 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 38.05 39.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.692 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 6.4 t80 -109.36 128.96 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.718 ' NE2' HD13 ' A' ' 32' ' ' ILE . 1.9 m80 -146.83 131.42 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.711 HD21 ' HB2' ' A' ' 36' ' ' ASN . 18.2 mt -116.31 169.2 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.1 p -110.47 143.62 40.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 18.1 tp60 -32.96 -38.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -63.06 -65.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.457 ' HB3' HD22 ' A' ' 57' ' ' LEU . 15.4 m -50.95 -41.11 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -50.07 -39.26 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.11 -28.22 67.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 m -54.31 -26.98 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.942 ' HA ' HD13 ' A' ' 68' ' ' LEU . 3.5 m-85 59.5 54.17 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.0 t -118.69 -47.33 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.692 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -88.93 -12.62 41.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.942 HD13 ' HA ' ' A' ' 65' ' ' TYR . 8.2 mp -42.77 -29.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -31.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -101.75 152.76 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 m -71.77 104.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.554 ' C ' HD12 ' A' ' 85' ' ' LEU . 3.6 m-85 -95.06 170.79 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -145.62 131.38 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 p90 -106.03 140.33 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.575 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -106.83 -179.82 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 80' ' ' GLN . 19.3 mm-40 -127.5 167.28 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' ARG . 49.3 pttt -48.55 163.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' LYS . 20.6 mmt85 -37.47 155.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.49 39.31 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 26.8 mm100 -146.32 -175.1 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -143.97 153.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 86.6 m95 -46.64 161.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.585 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 28.1 mtt-85 -138.57 123.99 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -59.16 126.94 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 72' ' ' PHE . 10.9 mt -87.58 161.16 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -109.48 112.12 24.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 88' ' ' ARG . 18.7 pttp -50.73 137.96 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 87' ' ' LYS . 23.6 ttt85 32.58 41.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 39.79 53.5 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.06 129.1 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -119.56 143.59 47.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.27 144.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 94' ' ' GLY . 1.1 t -162.47 129.47 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 93' ' ' SER . . . 37.82 -158.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.57 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.4 m -72.16 -62.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 m -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.534 -179.997 . . . . . . . . 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 -0.337 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -144.55 177.91 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 m -155.38 170.61 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.98 -171.61 14.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -165.22 173.85 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -152.24 156.08 39.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -149.71 8.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tp -155.9 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -115.46 174.87 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -123.11 173.1 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -96.01 172.09 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -132.41 178.52 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.32 178.13 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.9 t -92.89 172.42 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -89.88 167.79 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -117.49 162.35 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.9 158.29 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -134.08 115.81 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.79 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 163.2 21.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.64 176.58 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -108.78 161.7 14.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -112.88 133.66 54.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -97.39 175.49 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.673 ' HG3' HD11 ' A' ' 30' ' ' LEU . 4.6 tpp85 -92.54 156.68 16.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.661 HD22 ' HG3' ' A' ' 41' ' ' PRO . 8.0 mp -122.32 122.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -71.83 -23.76 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -44.71 -44.65 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -172.12 114.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD11 ' HG3' ' A' ' 25' ' ' ARG . 3.9 mm? -94.99 -41.93 8.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.82 -117.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.59 HD13 ' NE2' ' A' ' 56' ' ' HIS . 24.9 mt -143.94 132.86 11.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.657 0.741 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 160.06 51.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.4 t -66.26 153.13 43.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' HIS . 10.6 t-20 -96.02 -23.18 16.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.91 -74.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -74.72 -26.34 59.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 68.26 41.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.3 tt0 -77.73 118.2 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -147.03 128.62 7.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.661 ' HG3' HD22 ' A' ' 26' ' ' LEU . 53.4 Cg_endo -69.79 160.68 87.72 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.345 -0.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' ILE . 23.6 mt -87.22 84.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -44.59 -47.64 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -72.82 -172.24 21.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -62.26 177.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.408 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 11.0 t -120.3 133.3 55.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 1.2 m-85 -133.53 154.64 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 16.8 pttp -154.53 152.45 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 22.3 t -88.92 128.13 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 p -89.16 10.85 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -119.8 -27.56 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 -174.99 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mm -119.93 132.94 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 47.22 54.54 9.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -126.34 127.65 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.59 ' NE2' HD13 ' A' ' 32' ' ' ILE . 16.3 m80 -148.31 133.43 18.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.88 -178.64 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' GLN . 30.4 p -125.3 147.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 tp60 -34.49 -38.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.5 -68.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.7 m -51.91 -29.1 18.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.787 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 27.6 t80 -68.07 -33.26 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.01 -29.47 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.3 t -78.66 -20.81 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 17.1 m-85 52.71 51.56 15.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.5 t60 -70.35 -12.15 61.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -41.52 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' HIS . 56.3 m -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.65 177.11 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -81.25 109.91 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -109.67 165.53 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 p -150.64 134.13 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.9 p90 -104.82 148.66 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.589 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -113.54 177.15 4.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 mm-40 -124.8 167.56 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.0 pttt -48.23 164.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.3 mpt_? -36.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 64.18 37.43 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 47.3 mm-40 -148.24 170.27 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 161.58 29.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 74.2 m95 -50.01 172.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.588 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 20.3 mtt-85 -152.84 134.71 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.6 p -72.34 112.35 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.787 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 8.8 mt -56.74 145.7 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -119.64 159.02 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm 52.51 51.85 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.654 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -106.46 159.25 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.85 105.38 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -101.3 84.34 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -146.95 110.94 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -44.52 130.06 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -151.55 117.24 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -36.48 143.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.43 3.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -91.68 157.19 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.0 m -73.23 -49.82 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.475 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -151.93 150.44 30.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -130.09 173.02 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.04 -146.43 4.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -158.23 173.06 17.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -153.61 169.46 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.97 -166.43 25.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -174.94 157.04 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -115.69 171.93 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -133.04 168.78 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 11.5 t80 -122.73 175.92 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 11' ' ' PHE . 2.5 mppt? -147.99 171.36 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -123.78 168.3 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -125.23 177.7 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.14 172.93 11.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -91.18 157.95 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 tp -118.3 150.69 39.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.9 169.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -171.69 140.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.01 175.12 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.41 152.58 37.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -71.41 105.92 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 141.19 28.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -149.03 135.99 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 21.8 ttm105 -133.21 145.2 50.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.82 82.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.4 p30 -48.54 -30.86 5.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -70.73 112.29 6.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.2 t60 74.34 49.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 31' ' ' GLY . 12.2 mt -71.23 -42.25 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.97 -116.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 33' ' ' PRO . 18.6 mt -144.36 139.08 15.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.74 157.38 60.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.0 t -65.85 150.18 49.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 55' ' ' TYR . 3.2 m120 -95.95 -10.48 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -100.75 -71.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 24.8 p -81.22 -16.4 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 36.8 tt0 -77.67 119.01 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.5 t80 -146.8 124.77 6.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.74 168.6 66.81 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.319 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 42' ' ' ILE . 25.9 mt -95.08 91.05 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -43.92 -57.58 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -65.26 -173.83 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -59.74 178.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.06 134.47 54.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' A' ' 62' ' ' PHE . 3.2 m-85 -128.94 140.83 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -136.34 135.91 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 34.3 t -82.73 127.62 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -89.1 1.29 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -113.0 -23.9 9.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 m -99.2 -177.54 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' GLU . 81.3 mt -112.98 140.11 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' ILE . 14.1 pt-20 34.79 40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.793 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 12.4 t80 -109.01 129.91 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.583 ' NE2' HD13 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -149.27 134.37 18.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.839 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 61' ' ' CYS . 28.4 mt -113.38 162.74 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -107.42 147.54 30.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' CYS . 31.4 tp60 -33.38 -41.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.51 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.518 ' HB3' HD22 ' A' ' 57' ' ' LEU . 10.9 m -54.64 -41.24 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 12.4 t80 -53.54 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -51.42 -28.65 13.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -57.45 -31.31 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.8 m-85 60.7 54.93 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -117.89 -63.0 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.793 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.6 t-160 -59.66 -10.54 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 65' ' ' TYR . 12.7 mt -40.33 -37.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' LEU . 16.8 m -35.02 -41.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -93.9 165.78 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.5 m -82.33 112.57 19.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.8 m-85 -107.11 163.44 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 p -146.22 133.48 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.4 p90 -104.76 142.95 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 ptt180 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -126.87 167.15 16.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' ARG . 21.4 pttt -48.5 164.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.1 mmt85 -35.93 154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 77.8 m-20 64.29 39.57 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 79' ' ' ASN . 17.4 mm-40 -150.94 163.13 39.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -118.11 170.06 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.498 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 92.6 m95 -64.5 169.21 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.474 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 27.4 mtp180 -146.36 138.43 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -72.83 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.466 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 9.3 mt -87.76 154.28 20.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -97.93 140.88 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -76.91 145.03 38.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -147.88 142.63 26.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.03 116.57 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -108.17 -45.66 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.26 140.88 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 p -96.34 134.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 t -116.25 -60.11 1.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.55 166.62 33.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.19 9.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 m 45.44 41.87 7.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 t -70.25 -60.62 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.512 -179.991 . . . . . . . . 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 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -154.52 165.6 35.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -92.11 139.46 30.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.44 155.87 22.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -159.73 134.66 7.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -174.96 159.56 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.06 -161.19 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 8' ' ' LEU . 2.5 pp -146.06 140.75 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -154.64 159.9 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -107.7 171.06 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -129.28 -176.38 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.512 ' HE2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.04 169.42 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -141.91 162.09 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -174.55 163.78 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -167.29 115.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -139.65 169.07 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 17' ' ' LEU . 2.4 pt? -159.35 133.5 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.972 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.79 134.17 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.98 144.12 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.46 148.93 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.61 170.25 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -137.1 172.31 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -122.29 43.04 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -124.74 112.71 17.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -55.3 106.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 24' ' ' GLU . 5.4 mp -81.0 -60.88 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.529 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . 17.3 m-20 -87.57 177.78 6.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' CE ' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -86.43 -69.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 27' ' ' ASP . 40.3 p-80 -35.25 108.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.612 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -88.36 -39.02 14.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.97 -117.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.79 ' O ' HD12 ' A' ' 42' ' ' ILE . 20.1 mt -144.34 139.25 15.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.1 Cg_endo -69.81 160.22 50.5 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.526 ' N ' HD11 ' A' ' 42' ' ' ILE . 17.3 t -68.01 152.67 45.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' HIS . 21.4 t-20 -94.82 -17.78 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -96.32 -73.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.6 p -74.21 -25.1 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.1 mmmp? 67.03 43.0 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 19.8 tt0 -81.97 122.01 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.65 128.08 7.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.8 167.64 70.44 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.33 0.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 32' ' ' ILE . 12.2 mt -94.2 88.65 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -49.55 -53.0 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -66.64 -175.99 7.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -55.75 172.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.34 104.5 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 7.6 m-85 -101.81 154.91 18.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.1 150.22 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 35.9 t -91.08 123.52 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -86.58 8.18 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -117.19 -26.38 6.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.4 m -95.89 -175.31 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.455 HG22 ' HG3' ' A' ' 54' ' ' GLU . 33.9 mm -118.19 134.31 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' HG3' HG22 ' A' ' 53' ' ' ILE . 13.9 mt-10 45.07 42.73 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.63 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 5.8 t80 -112.36 126.17 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' ASN . 20.8 m80 -144.23 134.7 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 ' SG ' ' A' ' 34' ' ' CYS . 15.1 mt -114.8 -179.12 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -126.06 154.51 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 8.1 tp60 -42.42 -37.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.32 -69.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.2 m -51.47 -34.3 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' HD21 ' A' ' 68' ' ' LEU . 27.7 t80 -60.55 -35.2 75.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.57 -29.09 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.4 t -76.71 -21.81 54.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.646 ' CD2' ' HB3' ' A' ' 89' ' ' ALA . 11.2 m-85 56.8 42.22 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 t -80.75 -62.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.63 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -73.59 -12.82 60.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.633 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 24.2 m -46.67 -35.62 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -94.14 -179.61 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -87.2 104.65 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.5 m-85 -102.65 169.81 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 p -153.69 136.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 13.1 p90 -104.88 147.18 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 6.1 mtm180 -101.92 179.23 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -134.35 167.91 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 21.9 pttp -48.09 163.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 tpp85 -37.39 155.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 57.5 t30 65.1 43.65 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 27.8 mm100 -147.96 -175.04 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 160.08 43.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.2 m95 -48.83 151.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 17.2 mtp85 -131.78 134.72 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.8 p -68.16 115.77 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.483 HD12 ' C ' ' A' ' 72' ' ' PHE . 9.7 mt -70.17 167.32 18.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' CG ' ' HD3' ' A' ' 88' ' ' ARG . 21.1 pt-20 -87.76 128.36 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 88' ' ' ARG . 10.8 mtpp -67.77 83.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.457 ' HD3' ' CG ' ' A' ' 86' ' ' GLU . 7.8 mpt_? -124.85 147.79 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.646 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . . . 58.53 43.38 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.24 94.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -73.49 135.08 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.8 -17.05 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 8.0 t -56.29 150.94 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -94.66 105.76 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 93' ' ' SER . 53.3 Cg_endo -69.75 -176.76 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.358 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.2 p -120.52 -56.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 p -134.75 173.12 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.484 -179.972 . . . . . . . . 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 -0.317 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -151.44 157.43 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -153.01 173.09 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.82 146.62 16.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -158.49 166.62 31.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -115.47 172.11 7.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 102.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.602 HD23 ' C ' ' A' ' 8' ' ' LEU . 6.8 tt -157.91 122.06 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' N ' HD23 ' A' ' 8' ' ' LEU . 15.1 mp0 -153.68 125.78 7.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -153.57 119.36 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.06 167.9 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -155.11 154.82 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -144.74 147.46 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -107.46 148.68 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.9 m -122.27 98.99 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 35.5 mttp -37.48 116.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.792 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -131.67 165.76 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' N ' HD22 ' A' ' 17' ' ' LEU . 100.0 t -126.57 90.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.07 140.74 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.56 121.33 44.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.54 163.96 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -118.35 145.51 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -84.67 168.61 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.71 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 137.99 41.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.4 pp -90.18 37.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -173.7 141.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -80.76 43.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -133.78 73.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 31' ' ' GLY . 55.9 mt -83.11 -42.1 17.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 31.27 -110.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.661 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.9 mt -142.2 138.81 17.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.77 165.49 30.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.642 ' N ' HD11 ' A' ' 42' ' ' ILE . 16.8 t -64.36 155.64 31.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.549 ' OD1' ' CE2' ' A' ' 55' ' ' TYR . 1.9 t-20 -95.44 -13.4 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -103.51 -73.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 31.1 p -83.37 4.06 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 35.6 mmtt 42.27 31.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 30.6 tt0 -61.18 118.73 7.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -146.37 130.03 8.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.1 Cg_endo -69.76 169.42 63.4 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.296 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.727 ' O ' HG22 ' A' ' 42' ' ' ILE . 20.5 mt -98.46 76.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -42.13 -54.37 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.89 -175.61 2.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -58.05 169.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.6 m -120.32 103.23 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.516 ' HD2' HD11 ' A' ' 85' ' ' LEU . 5.9 m-85 -97.15 152.58 18.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.953 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -141.23 133.07 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 20.7 t -76.95 127.02 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 p -90.94 7.0 42.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.59 -28.12 6.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.3 m -95.22 -174.47 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 37.3 mm -114.37 129.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 15.4 pt-20 45.56 41.73 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.653 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 4.6 t80 -105.34 126.84 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -141.85 134.19 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 72' ' ' PHE . 21.1 mt -115.72 172.53 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.5 p -116.32 147.49 41.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.5 tp60 -35.46 -35.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.8 tt0 -65.19 -63.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.2 m -56.4 -27.47 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 27.5 t80 -70.51 -22.58 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.96 -22.06 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -78.02 -19.82 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.506 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 54.28 34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.38 -48.94 10.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.653 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -85.48 -11.43 54.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -42.18 -22.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -49.79 -20.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.69 149.15 38.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -68.57 106.82 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -95.33 179.47 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 84' ' ' SER . 8.5 p -151.78 129.12 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 30.6 p90 -104.68 157.73 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.591 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 3.2 mmm180 -101.19 172.06 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -125.83 166.78 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' ARG . 4.2 ptpp? -49.25 163.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.9 mmm180 -37.22 156.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.42 35.41 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -145.26 168.31 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 173.53 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.591 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 94.8 m95 -51.16 174.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.585 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.4 mmp_? -140.88 135.51 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 73' ' ' THR . 60.2 p -83.72 104.93 14.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 52.2 mt -63.6 154.51 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -104.44 156.53 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -58.16 108.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -134.62 115.13 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.98 117.28 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.67 40.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.78 177.56 4.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.64 125.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 p -94.56 142.43 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -91.43 133.66 11.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -32.27 19.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 p -132.55 144.01 50.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.7 m -95.62 100.93 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.485 -179.968 . . . . . . . . 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 -0.334 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -164.19 165.63 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -131.66 -44.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.74 -145.06 15.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -172.76 151.12 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -131.26 140.72 49.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.3 -145.2 8.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.66 140.47 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -161.72 124.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -149.83 140.57 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -114.61 149.11 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -153.71 155.81 36.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -83.7 173.61 11.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 m -166.0 137.6 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -174.46 153.49 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -118.95 91.17 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.81 73.02 7.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.9 m -129.53 131.06 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.81 165.07 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.03 174.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.24 119.36 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -161.35 133.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -144.07 156.2 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.46 146.98 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -61.67 98.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.2 pp -119.57 44.25 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -156.87 131.84 8.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -56.87 -39.97 75.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -65.26 92.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt -90.93 -41.92 10.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.28 -114.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.602 ' O ' HD12 ' A' ' 42' ' ' ILE . 17.3 mt -142.35 137.98 16.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.79 169.79 18.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 12.7 t -84.54 156.34 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.44 -30.43 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.69 -75.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -72.33 -28.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 13.8 mmmt 68.56 42.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 tt0 -80.48 121.5 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.2 t80 -147.07 123.58 5.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 165.88 75.6 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.319 0.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 32' ' ' ILE . 16.9 mt -92.28 107.82 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.58 -57.26 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.38 -169.75 3.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -58.35 175.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.15 93.63 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 16.7 m-85 -84.18 147.82 27.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -141.14 136.43 31.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.3 t -85.42 124.14 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 p -86.98 5.64 36.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.59 -24.6 7.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 12.4 m -98.62 -179.57 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.0 138.92 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 39.6 42.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.785 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 21.7 t80 -117.28 131.63 56.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.492 ' CE1' HG21 ' A' ' 32' ' ' ILE . 2.6 m80 -149.12 136.51 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 61' ' ' CYS . 15.8 mt -113.81 162.69 16.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.4 p -109.58 148.02 32.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' CYS . 24.0 tp60 -33.47 -43.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -62.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.505 ' HB3' HD22 ' A' ' 57' ' ' LEU . 21.0 m -54.14 -32.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 14.7 t80 -58.5 -42.11 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -24.95 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -59.87 -35.21 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.624 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.7 m-85 62.2 54.93 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.5 m -118.97 -65.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.785 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -58.22 -11.46 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.624 HD11 ' CG ' ' A' ' 65' ' ' TYR . 31.9 mt -41.13 -36.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.5 m -35.99 -36.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -98.36 164.9 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.3 m -79.6 108.14 12.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 5.4 m-85 -105.25 166.51 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 p -152.75 141.99 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 2.4 p90 -105.03 140.33 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.61 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -105.11 144.09 32.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -85.3 167.22 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' ARG . 19.4 pttm -48.67 164.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 18.6 mmt85 -37.3 157.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 63.42 36.64 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.8 -176.63 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -133.33 163.08 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 75.1 m95 -50.75 169.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 8.4 mmm180 -141.72 153.2 44.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p -92.56 105.92 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.591 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 9.1 mt -56.85 153.92 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -83.55 124.36 30.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -47.06 131.92 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -150.26 144.02 25.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.59 -59.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -152.41 159.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.94 -57.7 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.8 155.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 p -43.77 124.56 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.88 109.49 0.4 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.18 4.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -91.54 94.85 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -84.89 -59.28 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.476 -179.971 . . . . . . . . 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 -0.341 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -113.92 101.4 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -34.96 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.17 99.52 0.64 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -116.76 161.72 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t -169.7 113.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.75 125.77 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.2 tp -74.25 129.85 38.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -98.29 44.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -125.37 105.64 9.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -84.23 78.85 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.69 112.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -79.17 94.45 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.8 p -85.45 127.46 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.9 p -131.89 40.44 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.45 43.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.6 pt? -143.79 132.24 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.48 140.65 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.7 103.74 11.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 177.45 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 103.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -135.29 152.22 51.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -128.27 -30.41 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -76.8 134.91 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.55 ' CD ' HD21 ' A' ' 30' ' ' LEU . 4.6 tmm_? -61.84 124.59 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.04 178.84 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.97 93.92 3.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -156.03 174.09 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.21 94.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' A' ' 25' ' ' ARG . 20.7 mt -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.45 -111.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.686 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.4 mt -144.17 139.5 15.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.8 Cg_endo -69.7 165.32 31.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.51 ' N ' HD11 ' A' ' 42' ' ' ILE . 16.4 t -75.56 152.31 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.467 ' HB3' ' CE1' ' A' ' 55' ' ' TYR . 3.4 m120 -95.47 -21.35 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -91.04 -74.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.5 p -74.2 -27.18 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 4.2 mmmm 68.81 43.48 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.9 tt0 -83.72 122.63 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -147.0 126.67 6.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.694 0.759 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 168.56 66.95 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.352 -0.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 32' ' ' ILE . 26.5 mt -95.49 83.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -43.53 -46.9 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -71.21 175.94 38.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -52.21 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.474 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 96.8 m -120.23 139.39 52.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 2.0 m-85 -136.56 149.86 48.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HD2' ' CH2' ' A' ' 82' ' ' TRP . 8.3 ptmm? -145.15 148.87 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.1 t -90.56 117.19 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -80.59 10.31 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -120.05 -28.51 5.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.0 m -96.18 -174.73 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -119.22 138.18 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 42.03 54.49 4.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 8.0 t80 -127.28 132.95 50.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.598 ' NE2' HD13 ' A' ' 32' ' ' ILE . 14.8 m80 -149.29 135.67 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -112.62 178.44 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLU . 29.7 p -124.15 145.4 49.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' CYS . 27.2 tp60 -34.1 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -62.8 -69.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.5 m -51.37 -28.36 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.943 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 23.3 t80 -65.01 -30.28 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -28.63 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.5 m -80.6 -16.09 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 7.6 m-85 51.12 47.29 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.22 -63.8 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.648 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -76.71 -12.17 59.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 1.2 mm? -42.06 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' HIS . 69.2 m -47.1 -26.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -104.02 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 m -85.47 102.09 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.4 m-85 -101.54 165.77 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -145.44 132.16 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 2.8 p90 -105.11 146.01 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.0 ptt180 -111.51 -179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.6 mm-40 -131.77 169.71 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 78' ' ' ARG . 1.9 pptp? -46.55 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.5 tpt180 -39.12 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 63.0 t30 67.78 28.47 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 26.6 mm100 -136.41 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -146.42 152.24 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 87.8 m95 -47.44 163.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 6.9 mtp85 -143.4 141.32 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.8 m -79.42 103.67 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.943 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 8.9 mt -60.32 148.91 35.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.53 134.76 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -57.14 122.2 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -47.22 159.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.41 104.08 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -155.29 155.46 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -69.44 115.59 8.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.6 145.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 p -79.42 -56.58 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.57 77.96 1.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 95.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 60.54 42.0 14.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.5 p -65.02 90.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.47 179.982 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p 44.24 42.26 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -49.66 167.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.86 107.42 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -98.55 144.87 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -51.57 97.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.53 153.03 52.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.53 129.97 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.23 141.78 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -94.41 136.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -138.76 170.33 16.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -109.4 172.39 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -143.39 177.57 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 p -107.59 161.74 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -56.52 95.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -138.72 107.96 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.48 86.07 2.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.67 141.86 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -171.68 169.47 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.4 173.27 7.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 87.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -125.25 119.36 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.83 -26.23 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 17.0 mt-10 -77.06 117.12 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -45.95 119.08 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -41.83 106.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.41 46.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -113.03 -61.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 36.9 p-80 -133.72 70.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' GLY . 84.3 mt -76.93 -42.05 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.12 -112.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.717 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.7 mt -143.82 139.56 16.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.8 Cg_endo -69.79 158.06 58.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.636 ' N ' HD11 ' A' ' 42' ' ' ILE . 13.4 t -65.42 146.04 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -94.4 -5.42 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.574 ' HB2' HD21 ' A' ' 57' ' ' LEU . 12.4 t30 -104.33 -71.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 22.1 p -80.07 -20.76 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 34.4 mmtm 66.74 42.7 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.0 tt0 -83.66 119.92 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -145.79 127.66 7.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 164.86 78.22 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 -1.809 . . . . 0.0 112.34 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.649 ' O ' HG22 ' A' ' 42' ' ' ILE . 23.4 mt -91.37 82.98 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -42.53 -50.26 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -69.77 -174.65 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HZ3' ' HA ' ' A' ' 76' ' ' GLU . 9.4 mmtt -60.05 170.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 92.7 m -115.22 111.64 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 1.8 m-85 -100.54 154.32 18.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 12.6 ttpt -144.51 133.95 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 44.5 t -81.6 124.73 29.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 71' ' ' THR . 10.4 p -88.34 11.76 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.5 -26.72 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 67.4 m -98.57 -174.61 2.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.03 130.09 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 50.43 38.86 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.607 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 4.9 t80 -107.58 130.39 54.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.556 ' NE2' HD13 ' A' ' 32' ' ' ILE . 4.1 m80 -147.03 132.58 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 36' ' ' ASN . 13.4 mt -113.87 166.07 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLU . 27.5 p -110.94 147.81 33.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.0 tp60 -35.69 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' CYS . 9.3 tt0 -68.44 -68.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.405 ' CB ' HD22 ' A' ' 57' ' ' LEU . 51.8 m -50.99 -26.54 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.809 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 16.1 t80 -69.67 -29.96 67.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -60.82 -27.04 67.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 p -73.11 -17.97 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.497 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 51.55 39.81 25.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.11 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t60 -71.0 -11.42 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -41.78 -24.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -47.26 -26.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -109.86 150.24 28.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 50' ' ' THR . 8.8 m -66.58 101.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.477 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.2 m-85 -92.55 170.9 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -146.12 137.83 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.655 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 14.9 p90 -104.85 157.84 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.619 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -121.11 135.61 55.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.555 ' HA ' ' HZ3' ' A' ' 45' ' ' LYS . 37.3 mt-10 -81.86 166.8 19.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 22.4 pttm -49.16 164.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 16.0 mmt85 -37.63 155.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 67.33 33.65 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 72.4 mm-40 -144.75 171.95 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' H ' ' NH2' ' A' ' 83' ' ' ARG . 19.1 mttp -124.45 170.88 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 21.3 m95 -69.64 170.92 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.655 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 5.7 ptp180 -175.4 140.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -46.81 164.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.809 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 8.1 mt -104.25 166.21 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.44 118.95 17.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 131.37 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -151.95 168.63 24.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.66 132.93 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.83 105.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -111.26 129.19 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 92' ' ' VAL . 27.6 m -96.9 41.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.6 m -118.07 138.27 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.64 141.61 3.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.55 4.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.0 p -139.77 118.63 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -164.98 148.09 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.449 -179.945 . . . . . . . . 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 1.452 -0.246 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -134.92 162.58 32.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -115.25 162.85 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.43 -168.71 11.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -166.33 161.39 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 174.94 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.54 173.42 21.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -135.57 165.04 26.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.84 157.9 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 139.63 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.23 132.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.93 141.14 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -167.39 118.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -93.74 163.14 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.454 ' HB3' HD11 ' A' ' 17' ' ' LEU . 70.6 m -87.84 151.43 22.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -112.29 108.28 17.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 15' ' ' SER . 4.9 mp -147.19 137.46 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.53 127.94 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.08 116.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.61 84.6 7.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.4 147.47 26.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.28 155.47 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -134.34 109.78 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -123.53 172.89 8.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.614 ' HG2' HD22 ' A' ' 30' ' ' LEU . 29.0 mtt180 -80.91 132.14 35.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -101.73 130.04 48.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 26' ' ' LEU . 6.0 m-20 -32.32 -49.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 29' ' ' HIS . 64.9 mttt -46.92 173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.9 t60 -33.27 126.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD22 ' HG2' ' A' ' 25' ' ' ARG . 59.8 mt -117.42 -42.28 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 31.47 -106.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 33' ' ' PRO . 12.8 mt -142.41 138.48 16.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.77 166.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.635 ' SG ' HD23 ' A' ' 57' ' ' LEU . 10.1 t -79.61 152.91 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.74 -28.6 14.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.654 ' HB2' HD21 ' A' ' 57' ' ' LEU . 3.0 t30 -83.26 -75.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.8 p -72.53 -28.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 16.8 mmmt 69.71 41.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 65.5 tt0 -82.35 121.04 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -147.06 124.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.7 168.55 66.84 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.383 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 32' ' ' ILE . 36.7 mt -94.66 136.0 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -92.8 -47.84 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 178.3 20.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -51.69 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.86 108.36 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -109.08 145.28 35.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HD2' ' CH2' ' A' ' 82' ' ' TRP . 9.2 ptmt -150.05 131.54 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 16.0 t -73.51 129.2 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 p -90.02 2.98 54.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -112.74 -31.48 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.3 m -88.92 -174.78 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -115.34 134.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.44 43.1 2.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.657 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 4.2 t80 -105.48 128.68 53.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.494 ' CD2' HD13 ' A' ' 32' ' ' ILE . 5.8 m80 -146.26 129.14 16.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 36' ' ' ASN . 14.1 mt -116.98 167.37 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -111.65 142.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -33.82 -40.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -59.25 -58.82 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' CB ' HD22 ' A' ' 57' ' ' LEU . 8.2 m -58.22 -41.55 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 24.9 t80 -49.78 -45.72 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 2.9 t0 -51.72 -23.78 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -61.24 -31.83 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.912 ' HA ' HD13 ' A' ' 68' ' ' LEU . 4.3 m-85 63.73 51.07 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 73.8 m -112.83 -56.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.657 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t-160 -83.14 -13.24 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.912 HD13 ' HA ' ' A' ' 65' ' ' TYR . 7.7 mp -42.43 -33.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -83.28 162.29 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.5 m -75.3 108.38 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.5 m-85 -106.18 160.75 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 p -135.96 127.2 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 11.1 p90 -105.16 144.52 31.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 7.2 mtm180 -101.26 -179.84 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -132.72 167.82 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 21.0 pttp -48.13 164.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mmt180 -37.08 155.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 63.9 46.77 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 13.5 mm-40 -150.0 -176.61 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -146.64 155.59 42.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.9 m95 -43.32 161.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 22.7 mtp85 -140.73 127.13 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.5 m -66.03 118.82 10.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 72' ' ' PHE . 22.3 mt -74.24 146.36 43.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -86.29 142.52 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -58.93 105.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.53 146.3 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -67.05 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.72 165.22 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' VAL . 12.6 tm-20 -97.55 129.41 44.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' GLU . 10.4 p -33.32 135.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.9 t -117.3 159.14 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . -40.62 103.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 94' ' ' GLY . 54.3 Cg_endo -69.75 143.86 52.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.2 p -106.99 129.51 54.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.2 t -63.68 -50.46 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.805 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.507 -179.926 . . . . . . . . 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 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -133.31 -49.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -104.19 117.88 35.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.63 -169.03 11.58 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -154.97 173.84 15.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -45.52 151.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.31 107.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.54 155.1 18.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.03 85.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -94.43 -44.71 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.48 155.49 33.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -110.31 128.57 55.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -135.32 121.15 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -122.43 101.92 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -77.51 173.68 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -115.39 167.54 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.94 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.6 t -104.4 119.06 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.13 145.02 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 169.36 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 42.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.14 -41.51 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -58.62 155.58 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -52.67 162.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -43.49 162.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 27' ' ' ASP . 3.5 pp -68.64 -32.88 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' A' ' 26' ' ' LEU . 26.2 t0 -130.94 128.62 40.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.08 -27.13 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -57.51 83.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.567 HD21 ' HG2' ' A' ' 25' ' ' ARG . 12.2 mt -104.93 -42.19 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.85 -102.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 33' ' ' PRO . 17.7 mt -143.48 138.92 15.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.77 165.74 29.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.361 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.57 ' N ' HD11 ' A' ' 42' ' ' ILE . 23.1 t -69.8 156.63 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -96.99 -18.44 19.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.92 -74.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 30.2 p -83.31 4.24 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 23.4 mmtm 43.29 28.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 57.9 tt0 -57.09 117.73 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.89 129.38 7.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.73 169.27 64.05 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.313 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 42' ' ' ILE . 23.8 mt -97.11 75.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -40.67 -57.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.488 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -61.93 173.89 7.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -47.16 169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -120.47 122.52 40.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HD2' HD11 ' A' ' 85' ' ' LEU . 2.6 m-85 -119.86 153.49 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.522 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.0 ptmm? -147.19 144.23 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 38.5 t -82.98 127.09 33.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -92.38 10.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -118.83 -27.08 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.04 -175.02 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.505 HG22 ' HG3' ' A' ' 54' ' ' GLU . 41.9 mm -116.73 132.22 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HG3' HG22 ' A' ' 53' ' ' ILE . 32.7 mt-10 45.05 51.82 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -120.63 132.4 55.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.585 ' NE2' HD13 ' A' ' 32' ' ' ILE . 31.3 m80 -147.82 140.82 24.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' CE2' ' A' ' 72' ' ' PHE . 14.9 mt -121.27 175.7 6.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.5 p -121.74 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.4 tp60 -36.56 -41.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.55 -67.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 m -50.68 -31.21 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.686 ' CE1' HD21 ' A' ' 68' ' ' LEU . 30.8 t80 -66.11 -33.88 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.53 -25.65 38.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -81.87 -16.09 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 48.41 45.16 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.15 -62.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.3 t60 -73.68 -12.23 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.686 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -42.0 -23.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 61.6 m -44.35 -27.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -103.69 175.67 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 m -81.84 108.05 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -106.76 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -147.45 131.59 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 8.8 p90 -104.87 144.05 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.581 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 9.1 mtt180 -101.59 177.76 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -132.05 168.71 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -46.86 163.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.6 tpt85 -39.67 152.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.549 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 47.4 t30 70.46 34.18 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.549 ' NE2' ' O ' ' A' ' 79' ' ' ASN . 74.6 mm-40 -140.8 -175.09 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 82' ' ' TRP . 23.8 mmmt -145.38 159.9 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 96.4 m95 -43.94 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.605 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 7.8 mmt85 -140.75 145.04 35.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.7 m -85.72 110.91 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 10.5 mt -76.86 154.71 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.28 130.29 55.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -51.87 95.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.42 127.55 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.1 111.81 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -96.77 87.43 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -126.86 92.0 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -106.22 111.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.8 p -138.52 159.56 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 121.63 82.76 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 177.05 6.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -51.97 -61.4 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 p -74.2 160.59 30.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.495 179.977 . . . . . . . . 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 -0.294 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -140.82 172.26 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -110.43 154.54 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.32 -143.16 6.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -149.0 154.94 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -144.3 147.87 34.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.27 -150.16 12.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.26 156.37 20.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -158.15 116.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -133.32 174.92 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 151.6 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -60.65 113.33 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -49.15 145.72 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.6 m -76.35 175.46 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -88.46 -49.89 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? 60.17 41.57 16.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.6 mt -90.1 89.91 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -151.25 141.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.68 120.33 25.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.04 120.15 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -173.06 158.63 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mt-10 -36.41 110.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -148.06 145.87 28.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ARG . 43.9 mm-40 -107.38 165.02 11.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 14.0 ttp-105 -35.87 109.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' H ' ' A' ' 26' ' ' LEU . 2.5 pt? -132.79 -38.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -81.17 166.8 20.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -89.52 39.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 75.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.0 mm? -84.55 -43.07 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 15.92 -113.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.593 HG23 ' HD2' ' A' ' 33' ' ' PRO . 21.1 mt -142.79 137.76 15.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.72 154.45 67.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' N ' HD11 ' A' ' 42' ' ' ILE . 8.4 t -67.48 149.34 50.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 4.3 t30 -95.56 -15.74 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.566 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.2 t30 -95.12 -73.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.1 p -77.08 -24.6 51.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 39.0 mmtt 70.09 40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 24.0 tt0 -81.54 118.28 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.8 t80 -146.6 127.24 7.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 168.31 67.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.591 HD11 ' N ' ' A' ' 34' ' ' CYS . 29.6 mt -99.41 102.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.87 -39.77 95.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.63 -176.34 39.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.67 175.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -120.73 100.23 6.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -94.5 152.49 18.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 32.0 ttmt -146.81 140.46 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 t -87.82 131.19 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -91.08 3.64 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -114.44 -25.89 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 m -95.84 -175.02 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -116.08 134.18 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 41.66 41.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.672 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 5.4 t80 -104.54 132.16 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.532 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 1.9 m80 -149.33 129.21 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 36' ' ' ASN . 16.9 mt -112.49 154.72 25.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.1 p -99.6 148.55 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.1 tp60 -35.95 -41.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.417 ' HB3' HD22 ' A' ' 57' ' ' LEU . 5.7 m -56.11 -42.87 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 18.8 t80 -51.88 -39.56 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.06 -27.13 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -61.48 -30.2 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CD2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-85 58.3 55.06 5.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -115.26 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.672 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -61.48 -10.35 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 65' ' ' TYR . 9.9 mt -40.3 -34.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' LEU . 24.3 m -37.07 -43.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -93.33 168.36 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.2 m -84.47 111.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -104.91 167.3 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -150.62 138.74 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 5.4 p90 -104.78 149.21 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 1.4 ptp85 -109.23 -179.29 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.524 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.2 mt-10 -134.13 168.69 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 1.8 mtmp? -47.6 164.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 10.9 mpt_? -37.05 156.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 64.37 42.23 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 28.4 mm-40 -146.33 -179.21 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -145.39 153.22 40.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 55.8 m95 -46.24 173.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.586 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -172.8 136.41 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -56.11 154.12 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 9.4 mt -101.03 163.03 12.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.94 122.47 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -49.32 169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -71.33 112.31 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.18 83.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -168.54 132.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.59 -55.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.52 138.52 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.9 m -123.25 97.37 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.91 -86.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.34 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.0 p -141.14 110.26 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.2 p -171.95 143.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.496 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -151.23 175.97 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -106.28 121.74 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.2 -157.9 12.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -111.26 173.46 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -135.71 155.27 50.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.09 155.63 38.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.25 109.87 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -149.57 176.51 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -115.42 135.68 53.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.4 141.55 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -100.84 120.87 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -122.66 130.15 52.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -143.73 113.25 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -151.53 164.3 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.3 pp -139.16 134.19 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 19' ' ' ALA . 91.7 t -130.51 113.49 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' VAL . . . -34.27 145.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.24 168.82 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.61 169.29 11.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -156.48 151.89 26.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.81 142.55 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -90.72 144.57 25.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.585 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 mpp_? -103.22 41.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER 36.57 27.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 p-10 29.66 50.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 15.8 tptp -125.71 -64.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -118.79 80.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.1 mt -77.31 -42.85 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.31 -119.64 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.704 ' O ' HD12 ' A' ' 42' ' ' ILE . 22.1 mt -145.33 138.36 14.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.68 155.31 66.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.496 ' SG ' HD23 ' A' ' 57' ' ' LEU . 13.0 t -69.71 153.99 42.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -95.93 -27.4 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -86.14 -74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.1 p -71.94 -28.96 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 22.1 mmtp 68.66 46.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.3 tt0 -87.67 121.13 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.516 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.7 126.29 6.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.707 0.765 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 167.19 72.08 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.32 0.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 32' ' ' ILE . 44.6 mt -93.69 109.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.77 -57.52 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.28 -179.38 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -54.95 -179.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -119.5 125.76 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 2.2 m-85 -123.48 152.12 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 17.1 pttt -152.32 145.17 24.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 49.4 t -83.38 120.13 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 p -81.14 7.56 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -114.3 -31.65 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -95.02 -174.53 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -122.26 133.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 51.83 48.0 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 7.9 t80 -125.41 105.97 9.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.485 ' CD2' HD13 ' A' ' 32' ' ' ILE . 7.1 m80 -130.01 132.66 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.81 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 34' ' ' CYS . 54.7 mt -113.23 -178.77 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.9 p -120.25 147.17 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.494 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 18.1 tp60 -34.38 -41.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.48 -69.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.7 m -47.69 -44.32 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 13.4 t80 -48.65 -39.12 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.42 -34.07 60.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 t -63.53 -23.46 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.614 ' CG ' HD13 ' A' ' 68' ' ' LEU . 5.5 m-85 61.37 31.23 19.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.01 -75.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.409 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.3 t60 -76.73 -12.91 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD13 ' CG ' ' A' ' 65' ' ' TYR . 4.5 tt -42.39 -25.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -43.36 -43.66 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -82.26 166.22 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 m -70.0 112.92 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.0 m-85 -111.03 163.47 13.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 84' ' ' SER . 17.3 p -146.3 133.58 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 5.6 p90 -104.7 152.59 22.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -115.15 176.39 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.6 mt-10 -126.08 169.32 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 16.8 mttp -46.77 163.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 11.8 tpp180 -37.73 158.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 3.3 m-20 63.24 39.8 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.513 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 7.0 mm-40 -143.26 -175.2 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -143.84 151.02 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 73.2 m95 -47.74 162.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 13.5 mtp180 -142.21 132.05 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 73' ' ' THR . 70.3 m -68.1 123.26 20.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.537 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 7.4 mt -80.59 168.33 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.89 143.48 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -72.17 169.52 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ALA . 14.5 mmm180 -45.36 145.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' ARG . . . -35.11 -49.42 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.53 144.08 51.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.43 145.05 34.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 m -79.3 138.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.1 t -130.55 159.27 37.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.47 169.6 34.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 99.57 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.286 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.9 m 62.8 43.63 6.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.1 t -80.67 95.08 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.491 -179.982 . . . . . . . . 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 1.452 -0.296 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p 38.79 42.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -105.27 139.37 40.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.92 -171.49 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -124.21 173.85 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -155.81 164.96 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.09 148.18 5.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.59 143.06 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.87 149.62 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -87.47 163.62 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -116.4 176.54 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -153.83 152.19 30.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -171.97 142.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 m -161.47 154.77 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.2 p -159.68 147.98 17.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.36 168.87 18.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 tp -94.85 143.72 26.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.11 143.98 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.52 151.48 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.91 170.79 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.64 46.41 17.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.72 32.44 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -146.04 146.92 31.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.1 mm-40 -76.9 177.67 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 10.0 mtm105 -35.24 101.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.725 HD23 ' H ' ' A' ' 26' ' ' LEU . 1.8 pt? -104.48 -36.54 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' OD2' ' CG ' ' A' ' 41' ' ' PRO . 4.8 p30 -76.52 -175.92 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -106.44 -35.34 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 45.2 p-80 -82.25 77.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 3.7 mm? -90.86 -41.76 11.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.95 -104.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 33' ' ' PRO . 17.8 mt -141.46 140.14 20.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.0 Cg_endo -69.85 169.94 17.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' HD23 ' A' ' 57' ' ' LEU . 12.2 t -81.88 154.43 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.72 -28.73 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' A' ' 57' ' ' LEU . 23.1 t30 -83.61 -74.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.5 p -73.37 -28.45 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 18.2 mmmt 68.71 43.43 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.425 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 23.5 tt0 -82.9 119.53 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.68 127.52 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.501 ' CG ' ' OD2' ' A' ' 27' ' ' ASP . 53.5 Cg_endo -69.82 164.6 78.98 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 0.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 32' ' ' ILE . 18.1 mt -91.6 124.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 44' ' ' GLY . 3.2 pm0 -89.08 -32.63 17.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 43' ' ' GLU . . . -85.22 173.1 48.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -46.78 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 75' ' ' ARG . 42.8 t -114.69 111.19 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HD2' HD11 ' A' ' 85' ' ' LEU . 40.2 m-85 -109.26 152.84 24.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.2 tttm -142.75 141.87 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 33.9 t -84.2 117.79 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 p -81.38 2.81 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.39 -25.34 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.7 m -100.34 -175.05 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.0 mt -120.41 137.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 45.2 54.98 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -127.19 133.96 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.544 ' NE2' HD13 ' A' ' 32' ' ' ILE . 14.1 m80 -149.61 135.81 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 ' SG ' ' A' ' 34' ' ' CYS . 16.3 mt -118.72 166.25 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' GLN . 25.7 p -112.64 150.45 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.1 tp60 -37.35 -42.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.54 -64.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -54.42 -36.22 63.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 23.4 t80 -60.34 -32.56 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.68 -28.83 61.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -77.65 -25.21 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 16.1 m-85 57.83 44.18 20.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -81.38 -65.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 t60 -72.17 -12.04 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -41.46 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' HIS . 48.6 m -45.09 -30.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -99.55 172.33 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.6 m -80.06 101.99 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.6 m-85 -99.7 169.81 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -153.76 138.78 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 19.4 p90 -104.67 146.09 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -100.71 179.94 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 75' ' ' ARG . 49.3 mt-10 -132.97 166.81 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.41 162.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -38.46 155.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 65.88 35.8 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -145.17 173.44 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.23 158.04 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.599 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 70.6 m95 -47.76 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 26.4 mtp180 -147.79 144.19 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t -76.96 145.62 38.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 9.1 mt -104.2 148.97 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.27 158.9 20.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.54 156.22 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -66.96 151.47 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 98.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 143.21 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.56 -53.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.528 HG22 ' H ' ' A' ' 94' ' ' GLY . 6.9 p -73.43 138.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -112.52 43.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.528 ' H ' HG22 ' A' ' 92' ' ' VAL . . . 49.71 83.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.44 ' HD3' ' CG2' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.82 169.56 18.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -97.13 136.42 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -69.64 -46.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.468 179.969 . . . . . . . . 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 1.451 -0.336 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -170.47 174.82 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -160.93 175.36 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.77 -162.53 9.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -172.46 177.6 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -170.58 173.45 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -159.5 172.72 36.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 7' ' ' GLY . 55.8 mt -155.22 177.37 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.16 177.2 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.12 167.33 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -151.23 175.32 12.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -160.9 167.48 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -165.19 162.34 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' SER . 5.4 p -123.05 -20.27 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' SER . 18.7 m 35.25 51.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -45.21 138.59 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.72 177.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 19' ' ' ALA . 11.1 p -83.55 161.48 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' N ' HG22 ' A' ' 18' ' ' VAL . . . -98.99 179.19 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.32 172.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.19 151.65 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.76 179.0 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -52.52 150.51 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' O ' HD22 ' A' ' 26' ' ' LEU . 10.2 pt-20 -158.92 -179.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.593 ' HG3' HD21 ' A' ' 30' ' ' LEU . 11.4 ttp-105 -38.32 151.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 24' ' ' GLU . 3.7 mm? -111.69 -72.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 28' ' ' LYS . 19.9 t70 -132.11 81.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 25.3 48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' ASP . 53.7 t60 -121.33 57.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD21 ' HG3' ' A' ' 25' ' ' ARG . 2.3 mm? -77.83 -42.02 35.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 30.7 -112.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 33' ' ' PRO . 21.4 mt -143.25 138.49 15.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.76 165.25 31.61 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.492 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.6 t -73.29 150.97 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.7 -13.24 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 11.7 t30 -98.31 -73.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 25.1 p -78.29 -18.51 55.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 36' ' ' ASN . 1.4 mptp? 62.61 40.45 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.407 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 17.0 tt0 -78.79 119.93 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.28 126.18 6.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 164.64 78.67 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.386 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 32' ' ' ILE . 22.1 mt -89.66 93.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.61 -57.21 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.8 -168.85 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 76' ' ' GLU . 6.8 mmtt -63.69 179.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.8 m -118.63 107.59 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.9 m-85 -97.16 154.99 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.651 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -156.42 137.0 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.9 t -80.9 128.05 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 p -89.91 5.86 44.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.22 -26.0 7.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -94.64 -175.67 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 mm -119.77 132.2 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 48.6 49.07 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.462 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 4.8 t80 -119.53 127.91 53.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -146.33 132.07 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 57' ' ' LEU . 18.3 mt -119.41 168.57 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 60' ' ' GLU . 26.8 p -113.38 144.7 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' CYS . 22.1 tp60 -33.36 -34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 6.2 tt0 -65.92 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.64 -28.42 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.709 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 25.3 t80 -62.58 -39.63 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.57 -18.42 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -65.6 -27.72 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.98 ' HA ' HD13 ' A' ' 68' ' ' LEU . 3.3 m-85 58.97 53.93 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 t -115.61 -45.23 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t60 -95.28 -13.64 24.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.98 HD13 ' HA ' ' A' ' 65' ' ' TYR . 6.9 mp -43.28 -29.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -41.58 -46.02 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -81.43 168.14 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -79.73 110.59 15.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.8 m-85 -110.01 164.15 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 84' ' ' SER . 41.1 p -154.03 138.09 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 83' ' ' ARG . 42.4 p90 -106.16 160.66 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 82' ' ' TRP . 6.9 mmt180 -107.4 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.9 mp0 -134.61 167.78 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 12.5 pttp -48.1 163.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 2.0 tpp180 -38.07 156.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 64.91 43.06 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 15.5 mm-40 -147.75 176.29 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -147.08 148.03 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.651 ' CH2' ' CD ' ' A' ' 48' ' ' LYS . 97.0 m95 -34.38 151.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 74' ' ' PHE . 54.2 mtp180 -131.16 132.4 44.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.506 ' HA ' HG22 ' A' ' 73' ' ' THR . 71.6 p -68.76 117.48 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.1 mt -73.73 156.94 37.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.0 133.46 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 88' ' ' ARG . 19.7 tttp -78.66 153.29 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 24.6 ttm180 -33.45 134.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.93 49.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -122.34 131.36 53.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -125.3 110.49 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 92' ' ' VAL . 33.4 m -136.79 118.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t -108.25 41.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.99 123.83 2.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.25 32.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m 56.77 41.14 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.7 t -109.66 151.37 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.523 -179.964 . . . . . . . . 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 -0.305 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -156.93 162.74 39.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -149.58 173.41 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.74 -170.19 12.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -168.14 161.75 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -93.54 171.23 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.25 -62.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.5 pt? -45.73 130.54 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -163.57 172.78 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' PHE . 9.8 pt-20 -116.44 152.25 34.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLU . 11.8 p90 -36.64 150.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 142.51 18.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -94.23 176.65 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -151.07 176.95 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -58.37 173.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -129.82 173.35 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.54 154.12 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -143.02 162.36 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 164.26 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.5 158.56 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 164.8 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -112.31 164.37 13.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -116.11 135.56 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ARG . 19.9 mm-40 -151.49 165.1 35.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' GLU . 19.5 ttp180 -35.22 142.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -117.55 -39.03 3.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -121.94 177.24 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LEU . 2.3 mmpt? -75.72 -42.9 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -61.26 80.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt -93.46 -41.86 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.31 -113.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.699 ' O ' HD12 ' A' ' 42' ' ' ILE . 25.4 mt -141.79 139.52 18.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.3 Cg_endo -69.82 164.45 34.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 57' ' ' LEU . 14.3 t -75.16 148.2 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.35 -10.79 31.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.664 ' HB2' HD21 ' A' ' 57' ' ' LEU . 1.1 t30 -100.65 -72.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 17.9 p -77.12 -24.86 51.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 42.3 mmtt 69.17 42.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.0 tt0 -83.92 121.48 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.67 127.45 7.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 166.41 74.14 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.379 -0.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 32' ' ' ILE . 12.2 mt -91.72 105.86 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.81 -57.22 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.78 179.39 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -52.76 179.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -119.94 112.98 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 53.9 m-85 -115.33 148.14 39.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 21.6 pttt -146.21 141.62 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 37.8 t -78.8 126.8 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.9 p -87.96 5.56 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -115.61 -26.58 7.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -94.7 -173.77 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' GLU . 48.0 mm -115.13 138.42 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ILE . 17.3 pt-20 37.03 39.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 5.0 t80 -104.97 119.64 39.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . 7.0 m80 -140.71 131.4 25.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.664 HD21 ' HB2' ' A' ' 36' ' ' ASN . 25.5 mt -112.58 -178.52 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.1 p -123.64 145.28 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.7 tp60 -33.85 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.29 -61.88 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 m -57.37 -39.46 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.98 -37.49 69.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.95 -37.6 66.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -65.13 -11.1 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.682 ' CG ' HD13 ' A' ' 68' ' ' LEU . 4.4 m-85 52.41 34.11 14.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 86.5 m -74.01 -75.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.1 t60 -75.22 -12.87 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 65' ' ' TYR . 3.1 tt -42.44 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' HIS . 66.5 m -45.51 -44.68 12.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -82.73 162.33 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -69.02 108.53 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.597 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -106.53 157.64 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 128.96 34.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 1.4 p90 -106.36 140.06 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.554 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -103.72 176.38 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -110.69 169.42 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 2.7 ptpp? -46.09 164.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 13.1 tpt180 -36.99 156.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.1 t-20 59.84 45.47 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mm100 -148.72 -175.78 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 2.8 mmmp? -127.71 -178.41 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.584 ' CH2' ' HD3' ' A' ' 48' ' ' LYS . 93.3 m95 -75.97 170.9 15.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 24.2 mtp85 -144.54 129.36 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.0 p -73.15 117.96 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 72' ' ' PHE . 11.7 mt -75.33 165.38 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.07 157.11 18.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -82.54 93.16 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -106.43 120.21 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 132.44 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -65.23 175.8 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -150.11 108.52 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t -137.17 148.38 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 t -107.37 99.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.63 152.3 3.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.21 22.27 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.7 m -111.07 -50.1 2.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.6 t -41.69 138.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.496 -179.965 . . . . . . . . 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 -0.312 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -140.66 150.04 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 150.78 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.04 160.06 36.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -87.72 136.24 33.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -126.15 174.53 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.86 113.11 0.69 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -166.84 123.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.01 141.37 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -164.73 117.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -50.13 131.9 23.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -102.27 175.2 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -76.03 171.32 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -56.25 149.9 15.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -77.36 123.52 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -56.85 158.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.716 HD23 ' H ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -86.52 82.05 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.2 p -36.38 151.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.77 94.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.32 127.8 43.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.24 173.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.55 45.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.23 -54.53 7.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.24 155.54 28.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.92 160.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 27' ' ' ASP . 5.4 mp -116.27 42.24 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 14.2 t0 34.04 54.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' HIS . 13.1 tttp -128.19 101.89 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.7 p-80 35.11 50.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.703 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.92 -42.04 93.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 39.26 -101.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.726 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.8 mt -143.44 139.68 16.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.68 159.19 54.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.373 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.536 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.6 t -67.55 152.42 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -95.99 -23.51 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -88.21 -74.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.7 p -74.01 -27.32 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 20.7 mmmt 68.89 43.19 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 9.0 tt0 -83.53 123.0 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 2.0 t80 -146.95 125.5 6.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.71 167.89 69.25 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.371 -0.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.542 ' O ' HG22 ' A' ' 42' ' ' ILE . 28.1 mt -93.43 84.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -39.77 -57.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -67.68 -174.04 7.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -58.2 168.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.13 106.79 13.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.42 153.07 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -144.64 122.74 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 48.8 t -66.56 126.24 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -90.57 4.11 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -111.26 -24.83 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 m -101.33 -174.74 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.64 137.4 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 48.09 42.95 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -121.68 127.99 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.495 ' CE1' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -145.13 133.55 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD12 ' CE2' ' A' ' 72' ' ' PHE . 27.1 mt -114.83 165.88 12.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.8 p -112.31 149.03 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.7 tp60 -33.79 -44.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.17 -67.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -50.35 -38.95 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -54.57 -36.97 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -61.31 -21.46 63.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 t -64.7 -28.22 69.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CG ' HD22 ' A' ' 68' ' ' LEU . 5.5 m-85 57.95 50.7 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.13 -50.27 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -89.89 -12.37 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.681 HD22 ' CG ' ' A' ' 65' ' ' TYR . 9.4 mp -42.59 -25.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -36.65 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -92.18 158.42 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 m -74.8 107.63 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -98.55 176.29 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -151.54 134.68 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 83' ' ' ARG . 14.2 p90 -111.26 148.52 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.55 ' HG3' ' CD2' ' A' ' 82' ' ' TRP . 13.0 mtt180 -101.84 172.6 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.16 168.31 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ARG . 24.6 pttt -47.97 163.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' LYS . 12.7 tpp180 -36.54 155.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.8 m-80 63.91 42.55 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -149.91 -175.07 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 159.51 44.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.55 ' CD2' ' HG3' ' A' ' 75' ' ' ARG . 82.8 m95 -39.37 155.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 16.7 mtm180 -142.13 128.0 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -54.46 156.42 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -107.27 168.07 9.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -105.43 134.42 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -55.38 142.65 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -145.55 168.58 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.59 122.84 15.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -116.86 163.07 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.85 92.17 6.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.25 117.93 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.9 m -113.69 177.35 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -88.37 -88.5 1.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 116.32 4.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.1 t -82.7 123.25 29.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 t -116.95 103.47 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.518 -179.992 . . . . . . . . 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 ' 30' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' A' ' 41' ' ' PRO . 4.1 mm? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.43 -104.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.676 HD13 ' NE2' ' A' ' 56' ' ' HIS . 15.4 mt -139.98 139.16 20.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.79 162.58 41.56 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.535 ' N ' HD11 ' A' ' 42' ' ' ILE . 18.1 t -71.31 152.35 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.59 -16.55 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -95.18 -73.74 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 22.3 p -77.47 -24.78 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 3.3 mmmm 70.33 37.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 17.6 tt0 -72.96 120.01 18.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.7 t80 -146.74 125.11 6.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.605 ' HB3' HD13 ' A' ' 30' ' ' LEU . 53.2 Cg_endo -69.77 168.69 66.64 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.316 0.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 42' ' ' ILE . 25.7 mt -95.8 77.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.37 -46.49 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -69.87 -179.67 25.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.63 173.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -120.25 116.02 24.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -115.93 154.91 28.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 10.0 ptmm? -149.8 147.59 28.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 36.1 t -88.03 124.43 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -89.04 15.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -123.14 -27.83 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.47 -175.52 3.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.7 mm -118.0 129.97 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 49.19 51.21 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.555 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 12.0 t80 -122.36 129.61 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.676 ' NE2' HD13 ' A' ' 32' ' ' ILE . 24.5 m80 -144.85 141.08 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD23 ' SG ' ' A' ' 34' ' ' CYS . 12.2 mt -121.12 174.81 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 p -121.53 158.58 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -44.56 -38.66 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -61.39 -67.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.9 m -53.38 -31.12 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 24.5 t80 -65.71 -34.27 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -56.96 -23.59 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -83.89 -16.82 42.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 8.6 m-85 52.13 40.58 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.89 -59.83 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.555 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -78.1 -12.82 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -42.51 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 52.9 m -46.8 -33.3 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -97.01 172.42 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 m -78.8 102.98 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.9 m-85 -102.33 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -148.02 131.92 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 11.8 p90 -105.0 150.72 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 mtm180 -101.47 179.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -131.74 167.82 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.4 pttm -48.18 161.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 77' ' ' LYS . 9.1 mmt180 -35.34 153.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 5.9 m-20 64.42 43.15 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 79' ' ' ASN . 24.0 mm100 -150.21 166.87 28.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -126.98 158.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.585 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 92.7 m95 -43.83 165.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.583 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 11.8 mtp180 -144.03 144.92 31.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.752 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.9 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.857 0.361 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.7 -117.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.691 ' O ' HD12 ' A' ' 42' ' ' ILE . 27.5 mt -144.9 135.79 12.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.78 158.18 57.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' HD23 ' A' ' 57' ' ' LEU . 15.8 t -66.56 152.84 44.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.35 -21.24 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.533 ' HB2' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.15 -73.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.7 p -73.47 -26.81 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 47.5 mmtt 68.55 42.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.2 tt0 -82.76 123.59 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.81 127.01 6.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 169.08 65.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.296 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 32' ' ' ILE . 20.7 mt -95.03 82.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -41.56 -52.88 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -67.89 -174.47 8.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -60.31 175.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.0 t -119.88 126.78 51.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 2.3 m-85 -117.54 153.9 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.3 ttpp -142.25 140.23 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 40.3 t -88.66 121.24 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 p -84.59 10.63 10.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -120.21 -26.97 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.5 m -97.19 -174.68 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' A' ' 54' ' ' GLU . 50.5 mm -112.18 130.94 64.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' HG2' HG22 ' A' ' 53' ' ' ILE . 17.1 pt-20 40.84 43.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.577 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 7.2 t80 -105.47 133.99 49.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 48' ' ' LYS . 4.5 m80 -147.49 144.59 28.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.606 HD23 ' SG ' ' A' ' 34' ' ' CYS . 12.6 mt -124.22 168.68 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.2 p -113.47 146.23 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -34.89 -38.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.33 -66.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' CB ' HD22 ' A' ' 57' ' ' LEU . 29.5 m -50.56 -35.13 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.611 ' CE1' HD21 ' A' ' 68' ' ' LEU . 27.8 t80 -63.18 -30.06 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.53 -25.23 62.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.3 t -84.07 -18.88 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 55.39 39.5 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.97 -60.07 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.577 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.7 t60 -75.49 -11.69 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.611 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -41.36 -28.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 m -42.5 -36.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -97.29 156.62 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -68.07 101.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -99.53 158.13 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -139.06 138.59 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 4.5 p90 -106.53 154.45 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.583 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -101.43 179.07 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 18.5 mt-10 -130.06 166.49 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' ARG . 15.9 pttm -48.93 165.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 8.4 tpt180 -37.11 160.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.532 ' CG ' ' O ' ' A' ' 78' ' ' ARG . 10.9 p30 51.24 53.52 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 57.2 mm-40 -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.87 156.17 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 29.0 m95 -59.4 171.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.424 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 5.6 ptm180 -174.39 160.87 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.848 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.9 mt . . . . . 0 N--CA 1.46 0.035 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 36.71 -116.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 42' ' ' ILE . 20.3 mt -143.83 139.32 16.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.77 158.1 58.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.548 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.9 t -69.01 151.25 46.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.57 -12.65 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.94 -72.81 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.9 p -76.45 -22.3 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.8 mmmp? 67.16 40.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 33.3 tt0 -76.79 119.69 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.94 124.98 6.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.76 168.03 68.94 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.38 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 32' ' ' ILE . 13.1 mt -95.15 105.31 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -66.24 -49.99 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -68.33 -178.83 16.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -54.97 173.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 111.13 17.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.6 m-85 -107.02 153.79 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 28.0 tttm -142.43 144.24 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 46.6 t -88.15 118.49 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 p -82.47 9.89 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -119.06 -26.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -98.61 -174.85 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -119.49 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 50.4 52.24 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -123.58 131.04 53.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' HD13 ' A' ' 32' ' ' ILE . 10.4 m80 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 72' ' ' PHE . 15.9 mt -113.04 170.6 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.4 p -117.07 146.54 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 6.7 tp60 -34.67 -37.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.98 -68.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.8 m -51.46 -32.52 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 35.1 t80 -64.23 -30.47 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 t -82.48 -22.31 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 7.7 m-85 56.51 43.44 25.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.5 -57.95 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.1 t60 -80.71 -12.34 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -42.05 -23.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' HIS . 55.9 m -44.69 -32.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -96.92 176.76 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 m -84.91 102.24 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.2 m-85 -99.59 170.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -152.77 137.77 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 5.8 p90 -104.98 142.56 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.577 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.6 OUTLIER -102.9 -179.68 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -128.29 167.43 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.1 pttm -48.28 164.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.5 tpp85 -37.4 157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 63.04 39.19 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -146.27 -175.15 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 157.33 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 50.7 m95 -47.16 161.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.493 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 31.0 mtp180 -138.51 126.36 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.6 mm? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.461 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 33.17 -117.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.844 ' O ' HD12 ' A' ' 42' ' ' ILE . 26.1 mt -144.74 137.69 13.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.2 Cg_endo -69.79 157.27 60.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.538 ' N ' HD11 ' A' ' 42' ' ' ILE . 13.7 t -71.93 155.46 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.57 -24.99 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.55 -74.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 p -72.11 -27.27 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 5.8 mmmm 68.0 44.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -82.42 122.57 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.91 123.39 5.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.687 0.756 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 168.98 65.66 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.352 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.844 HD12 ' O ' ' A' ' 32' ' ' ILE . 16.7 mt -95.21 114.56 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.14 -56.6 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -58.79 177.71 1.94 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' GLY . 7.1 mmtm -49.83 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.4 m -118.46 100.11 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -94.87 154.4 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -156.95 132.14 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -77.13 115.53 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.407 ' HG1' ' HB ' ' A' ' 71' ' ' THR . 22.8 p -80.79 0.76 33.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -109.71 -25.84 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.7 m -98.73 -173.98 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.57 140.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 39.0 44.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CZ ' ' ND1' ' A' ' 67' ' ' HIS . 3.1 t80 -112.69 128.47 56.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.417 ' CD2' HD13 ' A' ' 32' ' ' ILE . 1.5 m80 -149.52 135.96 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.423 HD23 ' SG ' ' A' ' 34' ' ' CYS . 39.6 mt -125.34 171.01 10.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.7 p -111.04 142.74 42.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' CYS . 25.6 tp60 -34.9 -38.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -58.87 -64.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -53.72 -44.39 69.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -48.08 -43.55 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.62 -28.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -64.36 -18.63 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.769 ' C ' HD12 ' A' ' 68' ' ' LEU . 11.6 m-85 59.62 53.7 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.567 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.6 m -103.83 -67.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.539 ' ND1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t60 -92.09 -13.06 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.839 ' C ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -47.61 -17.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.563 ' N ' HD22 ' A' ' 68' ' ' LEU . 42.1 m -53.15 -43.96 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -75.62 173.23 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.407 ' HB ' ' HG1' ' A' ' 50' ' ' THR . 7.9 m -76.48 101.77 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -104.88 163.49 12.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -145.19 142.42 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 83' ' ' ARG . 28.0 p90 -107.89 155.27 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 27.7 mmm-85 -109.64 171.6 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 18.8 mt-10 -134.37 167.54 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -48.56 164.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 78' ' ' ARG . 10.7 mpt_? -38.61 160.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 3.2 m120 62.63 38.37 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.519 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 10.9 mm-40 -144.37 -176.32 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -150.34 159.56 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.585 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 97.0 m95 -45.02 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 74' ' ' PHE . 21.9 mtt-85 -151.29 132.59 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.4 mm? . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.89 -115.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.532 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.718 HD13 ' NE2' ' A' ' 56' ' ' HIS . 18.9 mt -142.94 138.78 16.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.7 157.17 61.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.603 ' SG ' HD23 ' A' ' 57' ' ' LEU . 10.7 t -66.22 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.76 -6.54 42.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.711 ' HB2' HD21 ' A' ' 57' ' ' LEU . 57.6 t30 -103.86 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.84 -17.72 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 62.12 45.07 7.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -85.95 119.58 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.76 122.99 5.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.696 0.76 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 163.41 81.93 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.3 0.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.552 HD11 ' N ' ' A' ' 34' ' ' CYS . 35.3 mt -88.72 109.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -57.61 -57.28 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.46 -170.34 3.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -64.69 175.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.82 112.4 24.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.22 154.91 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -147.72 137.03 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 30.4 t -82.5 128.18 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 p -89.66 -1.28 57.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.64 -22.9 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.9 m -101.2 -174.35 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' GLU . 73.8 mt -119.11 142.32 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 38.05 39.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.692 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 6.4 t80 -109.36 128.96 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.718 ' NE2' HD13 ' A' ' 32' ' ' ILE . 1.9 m80 -146.83 131.42 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.711 HD21 ' HB2' ' A' ' 36' ' ' ASN . 18.2 mt -116.31 169.2 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.1 p -110.47 143.62 40.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 18.1 tp60 -32.96 -38.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -63.06 -65.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.457 ' HB3' HD22 ' A' ' 57' ' ' LEU . 15.4 m -50.95 -41.11 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -50.07 -39.26 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.11 -28.22 67.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 m -54.31 -26.98 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.942 ' HA ' HD13 ' A' ' 68' ' ' LEU . 3.5 m-85 59.5 54.17 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.0 t -118.69 -47.33 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.692 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -88.93 -12.62 41.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.942 HD13 ' HA ' ' A' ' 65' ' ' TYR . 8.2 mp -42.77 -29.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -31.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -101.75 152.76 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 m -71.77 104.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.6 m-85 -95.06 170.79 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -145.62 131.38 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 p90 -106.03 140.33 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.575 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -106.83 -179.82 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 80' ' ' GLN . 19.3 mm-40 -127.5 167.28 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' ARG . 49.3 pttt -48.55 163.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' LYS . 20.6 mmt85 -37.47 155.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.49 39.31 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 26.8 mm100 -146.32 -175.1 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -143.97 153.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 86.6 m95 -46.64 161.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.585 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 28.1 mtt-85 -138.57 123.99 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.818 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.9 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.82 -117.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.59 HD13 ' NE2' ' A' ' 56' ' ' HIS . 24.9 mt -143.94 132.86 11.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.657 0.741 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 160.06 51.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.4 t -66.26 153.13 43.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' HIS . 10.6 t-20 -96.02 -23.18 16.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.91 -74.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -74.72 -26.34 59.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 68.26 41.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.3 tt0 -77.73 118.2 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -147.03 128.62 7.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.79 160.68 87.72 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.345 -0.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 42' ' ' ILE . 23.6 mt -87.22 84.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -44.59 -47.64 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -72.82 -172.24 21.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -62.26 177.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.408 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 11.0 t -120.3 133.3 55.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.2 m-85 -133.53 154.64 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 16.8 pttp -154.53 152.45 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 22.3 t -88.92 128.13 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 p -89.16 10.85 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -119.8 -27.56 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 -174.99 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mm -119.93 132.94 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 47.22 54.54 9.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -126.34 127.65 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.59 ' NE2' HD13 ' A' ' 32' ' ' ILE . 16.3 m80 -148.31 133.43 18.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.88 -178.64 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' GLN . 30.4 p -125.3 147.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 tp60 -34.49 -38.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.5 -68.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.7 m -51.91 -29.1 18.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.625 ' CE1' HD21 ' A' ' 68' ' ' LEU . 27.6 t80 -68.07 -33.26 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.01 -29.47 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.3 t -78.66 -20.81 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 17.1 m-85 52.71 51.56 15.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.5 t60 -70.35 -12.15 61.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -41.52 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' HIS . 56.3 m -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.65 177.11 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -81.25 109.91 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -109.67 165.53 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 p -150.64 134.13 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.9 p90 -104.82 148.66 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.589 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -113.54 177.15 4.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 mm-40 -124.8 167.56 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.0 pttt -48.23 164.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.3 mpt_? -36.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 64.18 37.43 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 47.3 mm-40 -148.24 170.27 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 161.58 29.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 74.2 m95 -50.01 172.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.588 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 20.3 mtt-85 -152.84 134.71 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.782 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 31' ' ' GLY . 12.2 mt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.97 -116.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 33' ' ' PRO . 18.6 mt -144.36 139.08 15.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.74 157.38 60.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.0 t -65.85 150.18 49.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 55' ' ' TYR . 3.2 m120 -95.95 -10.48 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -71.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 24.8 p -81.22 -16.4 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 36.8 tt0 -77.67 119.01 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.5 t80 -146.8 124.77 6.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.74 168.6 66.81 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.319 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 42' ' ' ILE . 25.9 mt -95.08 91.05 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -43.92 -57.58 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -65.26 -173.83 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -59.74 178.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.06 134.47 54.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' A' ' 62' ' ' PHE . 3.2 m-85 -128.94 140.83 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -136.34 135.91 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 34.3 t -82.73 127.62 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -89.1 1.29 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -113.0 -23.9 9.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 m -99.2 -177.54 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' GLU . 81.3 mt -112.98 140.11 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' ILE . 14.1 pt-20 34.79 40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.793 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 12.4 t80 -109.01 129.91 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.583 ' NE2' HD13 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -149.27 134.37 18.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.839 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 61' ' ' CYS . 28.4 mt -113.38 162.74 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -107.42 147.54 30.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' CYS . 31.4 tp60 -33.38 -41.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.51 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.518 ' HB3' HD22 ' A' ' 57' ' ' LEU . 10.9 m -54.64 -41.24 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 12.4 t80 -53.54 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -51.42 -28.65 13.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -57.45 -31.31 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.8 m-85 60.7 54.93 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -117.89 -63.0 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.793 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.6 t-160 -59.66 -10.54 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 65' ' ' TYR . 12.7 mt -40.33 -37.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' LEU . 16.8 m -35.02 -41.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -93.9 165.78 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.5 m -82.33 112.57 19.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.8 m-85 -107.11 163.44 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 p -146.22 133.48 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.4 p90 -104.76 142.95 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 ptt180 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -126.87 167.15 16.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' ARG . 21.4 pttt -48.5 164.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.1 mmt85 -35.93 154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 77.8 m-20 64.29 39.57 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 79' ' ' ASN . 17.4 mm-40 -150.94 163.13 39.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -118.11 170.06 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.498 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 92.6 m95 -64.5 169.21 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.474 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 27.4 mtp180 -146.36 138.43 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.795 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.97 -117.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.79 ' O ' HD12 ' A' ' 42' ' ' ILE . 20.1 mt -144.34 139.25 15.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.1 Cg_endo -69.81 160.22 50.5 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.526 ' N ' HD11 ' A' ' 42' ' ' ILE . 17.3 t -68.01 152.67 45.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' HIS . 21.4 t-20 -94.82 -17.78 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -96.32 -73.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.6 p -74.21 -25.1 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.1 mmmp? 67.03 43.0 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 19.8 tt0 -81.97 122.01 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.65 128.08 7.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.8 167.64 70.44 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.33 0.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 32' ' ' ILE . 12.2 mt -94.2 88.65 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -49.55 -53.0 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -66.64 -175.99 7.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -55.75 172.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.34 104.5 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 7.6 m-85 -101.81 154.91 18.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.1 150.22 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 35.9 t -91.08 123.52 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -86.58 8.18 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -117.19 -26.38 6.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.4 m -95.89 -175.31 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.455 HG22 ' HG3' ' A' ' 54' ' ' GLU . 33.9 mm -118.19 134.31 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' HG3' HG22 ' A' ' 53' ' ' ILE . 13.9 mt-10 45.07 42.73 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.63 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 5.8 t80 -112.36 126.17 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' ASN . 20.8 m80 -144.23 134.7 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 ' SG ' ' A' ' 34' ' ' CYS . 15.1 mt -114.8 -179.12 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -126.06 154.51 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 8.1 tp60 -42.42 -37.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.32 -69.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.2 m -51.47 -34.3 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' HD21 ' A' ' 68' ' ' LEU . 27.7 t80 -60.55 -35.2 75.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.57 -29.09 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.4 t -76.71 -21.81 54.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 11.2 m-85 56.8 42.22 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 t -80.75 -62.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.63 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -73.59 -12.82 60.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.633 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 24.2 m -46.67 -35.62 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -94.14 -179.61 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -87.2 104.65 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.5 m-85 -102.65 169.81 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 p -153.69 136.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 13.1 p90 -104.88 147.18 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 6.1 mtm180 -101.92 179.23 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -134.35 167.91 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 21.9 pttp -48.09 163.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 tpp85 -37.39 155.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 57.5 t30 65.1 43.65 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 27.8 mm100 -147.96 -175.04 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 160.08 43.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.2 m95 -48.83 151.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 17.2 mtp85 -131.78 134.72 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.8 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.762 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 31' ' ' GLY . 55.9 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 31.27 -110.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.661 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.9 mt -142.2 138.81 17.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.77 165.49 30.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.642 ' N ' HD11 ' A' ' 42' ' ' ILE . 16.8 t -64.36 155.64 31.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.695 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 3.2 t30 -95.44 -13.4 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -103.51 -73.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 31.1 p -83.37 4.06 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 35.6 mmtt 42.27 31.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 30.6 tt0 -61.18 118.73 7.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -146.37 130.03 8.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.1 Cg_endo -69.76 169.42 63.4 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.296 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 42' ' ' ILE . 20.5 mt -98.46 76.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -42.13 -54.37 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.89 -175.61 2.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -58.05 169.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.6 m -120.32 103.23 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 5.9 m-85 -97.15 152.58 18.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.953 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -141.23 133.07 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 20.7 t -76.95 127.02 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 p -90.94 7.0 42.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.59 -28.12 6.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.3 m -95.22 -174.47 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 37.3 mm -114.37 129.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 15.4 pt-20 45.56 41.73 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.695 ' CE2' ' ND2' ' A' ' 35' ' ' ASN . 4.6 t80 -105.34 126.84 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -141.85 134.19 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 72' ' ' PHE . 21.1 mt -115.72 172.53 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.5 p -116.32 147.49 41.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.5 tp60 -35.46 -35.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.8 tt0 -65.19 -63.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.2 m -56.4 -27.47 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -70.51 -22.58 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.96 -22.06 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -78.02 -19.82 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.506 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 54.28 34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.38 -48.94 10.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.653 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -85.48 -11.43 54.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -42.18 -22.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -49.79 -20.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.69 149.15 38.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -68.57 106.82 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -95.33 179.47 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 84' ' ' SER . 8.5 p -151.78 129.12 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 30.6 p90 -104.68 157.73 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.591 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 3.2 mmm180 -101.19 172.06 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -125.83 166.78 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' ARG . 4.2 ptpp? -49.25 163.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.9 mmm180 -37.22 156.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.42 35.41 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -145.26 168.31 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 173.53 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.591 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 94.8 m95 -51.16 174.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.585 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.4 mmp_? -140.88 135.51 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 73' ' ' THR . 60.2 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.28 -114.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.602 ' O ' HD12 ' A' ' 42' ' ' ILE . 17.3 mt -142.35 137.98 16.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.79 169.79 18.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 12.7 t -84.54 156.34 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.619 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.0 m-80 -96.44 -30.43 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.69 -75.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -72.33 -28.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 13.8 mmmt 68.56 42.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 tt0 -80.48 121.5 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.2 t80 -147.07 123.58 5.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 165.88 75.6 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.319 0.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 32' ' ' ILE . 16.9 mt -92.28 107.82 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.58 -57.26 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.38 -169.75 3.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -58.35 175.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.15 93.63 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 16.7 m-85 -84.18 147.82 27.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -141.14 136.43 31.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.3 t -85.42 124.14 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 p -86.98 5.64 36.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.59 -24.6 7.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 12.4 m -98.62 -179.57 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.0 138.92 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 39.6 42.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.785 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 21.7 t80 -117.28 131.63 56.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.619 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.6 m80 -149.12 136.51 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 61' ' ' CYS . 15.8 mt -113.81 162.69 16.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.4 p -109.58 148.02 32.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' CYS . 24.0 tp60 -33.47 -43.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -62.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.505 ' HB3' HD22 ' A' ' 57' ' ' LEU . 21.0 m -54.14 -32.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -58.5 -42.11 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -24.95 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -59.87 -35.21 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.624 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.7 m-85 62.2 54.93 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.5 m -118.97 -65.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.785 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -58.22 -11.46 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.624 HD11 ' CG ' ' A' ' 65' ' ' TYR . 31.9 mt -41.13 -36.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.5 m -35.99 -36.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -98.36 164.9 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.3 m -79.6 108.14 12.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 5.4 m-85 -105.25 166.51 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 p -152.75 141.99 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 2.4 p90 -105.03 140.33 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.61 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -105.11 144.09 32.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -85.3 167.22 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' ARG . 19.4 pttm -48.67 164.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 18.6 mmt85 -37.3 157.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 63.42 36.64 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.8 -176.63 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -133.33 163.08 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 75.1 m95 -50.75 169.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 8.4 mmm180 -141.72 153.2 44.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 31' ' ' GLY . 20.7 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.865 0.364 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.45 -111.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.686 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.4 mt -144.17 139.5 15.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.8 Cg_endo -69.7 165.32 31.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.51 ' N ' HD11 ' A' ' 42' ' ' ILE . 16.4 t -75.56 152.31 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.614 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.4 m-80 -95.47 -21.35 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -91.04 -74.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.5 p -74.2 -27.18 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 4.2 mmmm 68.81 43.48 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.9 tt0 -83.72 122.63 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -147.0 126.67 6.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.694 0.759 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 168.56 66.95 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.352 -0.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 32' ' ' ILE . 26.5 mt -95.49 83.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -43.53 -46.9 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -71.21 175.94 38.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -52.21 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.474 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 96.8 m -120.23 139.39 52.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 2.0 m-85 -136.56 149.86 48.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.3 ptmm? -145.15 148.87 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.1 t -90.56 117.19 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -80.59 10.31 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -120.05 -28.51 5.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.0 m -96.18 -174.73 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -119.22 138.18 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 42.03 54.49 4.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 8.0 t80 -127.28 132.95 50.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.614 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 14.8 m80 -149.29 135.67 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -112.62 178.44 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLU . 29.7 p -124.15 145.4 49.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' CYS . 27.2 tp60 -34.1 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -62.8 -69.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.5 m -51.37 -28.36 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 23.3 t80 -65.01 -30.28 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -28.63 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.5 m -80.6 -16.09 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 7.6 m-85 51.12 47.29 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.22 -63.8 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.648 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -76.71 -12.17 59.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 1.2 mm? -42.06 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' HIS . 69.2 m -47.1 -26.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -104.02 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 m -85.47 102.09 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.4 m-85 -101.54 165.77 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -145.44 132.16 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 2.8 p90 -105.11 146.01 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.0 ptt180 -111.51 -179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.6 mm-40 -131.77 169.71 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 78' ' ' ARG . 1.9 pptp? -46.55 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.5 tpt180 -39.12 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 63.0 t30 67.78 28.47 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 26.6 mm100 -136.41 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -146.42 152.24 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 87.8 m95 -47.44 163.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 6.9 mtp85 -143.4 141.32 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' GLY . 84.3 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.12 -112.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.717 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.7 mt -143.82 139.56 16.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.8 Cg_endo -69.79 158.06 58.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.636 ' N ' HD11 ' A' ' 42' ' ' ILE . 13.4 t -65.42 146.04 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -94.4 -5.42 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.574 ' HB2' HD21 ' A' ' 57' ' ' LEU . 12.4 t30 -104.33 -71.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 22.1 p -80.07 -20.76 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 34.4 mmtm 66.74 42.7 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.0 tt0 -83.66 119.92 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -145.79 127.66 7.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 164.86 78.22 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 -1.809 . . . . 0.0 112.34 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 42' ' ' ILE . 23.4 mt -91.37 82.98 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -42.53 -50.26 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -69.77 -174.65 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HZ3' ' HA ' ' A' ' 76' ' ' GLU . 9.4 mmtt -60.05 170.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 92.7 m -115.22 111.64 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.8 m-85 -100.54 154.32 18.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 12.6 ttpt -144.51 133.95 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 44.5 t -81.6 124.73 29.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 71' ' ' THR . 10.4 p -88.34 11.76 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.5 -26.72 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 67.4 m -98.57 -174.61 2.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.03 130.09 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 50.43 38.86 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.607 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 4.9 t80 -107.58 130.39 54.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.556 ' NE2' HD13 ' A' ' 32' ' ' ILE . 4.1 m80 -147.03 132.58 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 36' ' ' ASN . 13.4 mt -113.87 166.07 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLU . 27.5 p -110.94 147.81 33.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.0 tp60 -35.69 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' CYS . 9.3 tt0 -68.44 -68.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.405 ' CB ' HD22 ' A' ' 57' ' ' LEU . 51.8 m -50.99 -26.54 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.67 -29.96 67.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -60.82 -27.04 67.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 p -73.11 -17.97 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.497 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 51.55 39.81 25.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.11 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t60 -71.0 -11.42 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -41.78 -24.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -47.26 -26.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -109.86 150.24 28.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 50' ' ' THR . 8.8 m -66.58 101.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.477 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.2 m-85 -92.55 170.9 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -146.12 137.83 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.655 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 14.9 p90 -104.85 157.84 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.619 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -121.11 135.61 55.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.555 ' HA ' ' HZ3' ' A' ' 45' ' ' LYS . 37.3 mt-10 -81.86 166.8 19.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 22.4 pttm -49.16 164.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 16.0 mmt85 -37.63 155.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 67.33 33.65 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 72.4 mm-40 -144.75 171.95 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' H ' ' NH2' ' A' ' 83' ' ' ARG . 19.1 mttp -124.45 170.88 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 21.3 m95 -69.64 170.92 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.655 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 5.7 ptp180 -175.4 140.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 31' ' ' GLY . 59.8 mt . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.849 0.356 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 31.47 -106.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 33' ' ' PRO . 12.8 mt -142.41 138.48 16.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.77 166.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.635 ' SG ' HD23 ' A' ' 57' ' ' LEU . 10.1 t -79.61 152.91 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.74 -28.6 14.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.654 ' HB2' HD21 ' A' ' 57' ' ' LEU . 3.0 t30 -83.26 -75.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.8 p -72.53 -28.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 16.8 mmmt 69.71 41.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.441 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 65.5 tt0 -82.35 121.04 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -147.06 124.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.7 168.55 66.84 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.383 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 32' ' ' ILE . 36.7 mt -94.66 136.0 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -92.8 -47.84 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 178.3 20.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -51.69 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.86 108.36 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -109.08 145.28 35.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HD2' ' CH2' ' A' ' 82' ' ' TRP . 9.2 ptmt -150.05 131.54 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 16.0 t -73.51 129.2 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 p -90.02 2.98 54.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -112.74 -31.48 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.3 m -88.92 -174.78 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -115.34 134.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.44 43.1 2.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.657 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 4.2 t80 -105.48 128.68 53.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.494 ' CD2' HD13 ' A' ' 32' ' ' ILE . 5.8 m80 -146.26 129.14 16.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 36' ' ' ASN . 14.1 mt -116.98 167.37 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -111.65 142.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -33.82 -40.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -59.25 -58.82 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.44 ' CB ' HD22 ' A' ' 57' ' ' LEU . 8.2 m -58.22 -41.55 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -49.78 -45.72 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 2.9 t0 -51.72 -23.78 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -61.24 -31.83 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.912 ' HA ' HD13 ' A' ' 68' ' ' LEU . 4.3 m-85 63.73 51.07 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 73.8 m -112.83 -56.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.657 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t-160 -83.14 -13.24 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.912 HD13 ' HA ' ' A' ' 65' ' ' TYR . 7.7 mp -42.43 -33.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -83.28 162.29 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.5 m -75.3 108.38 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.5 m-85 -106.18 160.75 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 p -135.96 127.2 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 11.1 p90 -105.16 144.52 31.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 7.2 mtm180 -101.26 -179.84 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -132.72 167.82 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 21.0 pttp -48.13 164.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mmt180 -37.08 155.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 63.9 46.77 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 13.5 mm-40 -150.0 -176.61 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -146.64 155.59 42.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.9 m95 -43.32 161.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.456 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 22.7 mtp85 -140.73 127.13 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.81 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 31' ' ' GLY . 12.2 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.85 -102.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 33' ' ' PRO . 17.7 mt -143.48 138.92 15.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.77 165.74 29.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.361 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.57 ' N ' HD11 ' A' ' 42' ' ' ILE . 23.1 t -69.8 156.63 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -96.99 -18.44 19.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.92 -74.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 30.2 p -83.31 4.24 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 23.4 mmtm 43.29 28.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 57.9 tt0 -57.09 117.73 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.89 129.38 7.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.73 169.27 64.05 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.313 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' ILE . 23.8 mt -97.11 75.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -40.67 -57.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.488 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -61.93 173.89 7.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -47.16 169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -120.47 122.52 40.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 2.6 m-85 -119.86 153.49 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.522 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.0 ptmm? -147.19 144.23 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 38.5 t -82.98 127.09 33.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -92.38 10.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -118.83 -27.08 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.04 -175.02 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.505 HG22 ' HG3' ' A' ' 54' ' ' GLU . 41.9 mm -116.73 132.22 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HG3' HG22 ' A' ' 53' ' ' ILE . 32.7 mt-10 45.05 51.82 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -120.63 132.4 55.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.585 ' NE2' HD13 ' A' ' 32' ' ' ILE . 31.3 m80 -147.82 140.82 24.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' CE2' ' A' ' 72' ' ' PHE . 14.9 mt -121.27 175.7 6.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.5 p -121.74 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.4 tp60 -36.56 -41.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.55 -67.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 m -50.68 -31.21 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.686 ' CE1' HD21 ' A' ' 68' ' ' LEU . 30.8 t80 -66.11 -33.88 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.53 -25.65 38.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -81.87 -16.09 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 48.41 45.16 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.15 -62.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.3 t60 -73.68 -12.23 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.686 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -42.0 -23.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 61.6 m -44.35 -27.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -103.69 175.67 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 m -81.84 108.05 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -106.76 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -147.45 131.59 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 8.8 p90 -104.87 144.05 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.581 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 9.1 mtt180 -101.59 177.76 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -132.05 168.71 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -46.86 163.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.6 tpt85 -39.67 152.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 47.4 t30 70.46 34.18 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 21.4 mm100 -140.8 -175.09 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 82' ' ' TRP . 23.8 mmmt -145.38 159.9 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 96.4 m95 -43.94 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.605 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 7.8 mmt85 -140.75 145.04 35.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.776 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.0 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.871 0.367 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 15.92 -113.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.593 HG23 ' HD2' ' A' ' 33' ' ' PRO . 21.1 mt -142.79 137.76 15.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.72 154.45 67.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' N ' HD11 ' A' ' 42' ' ' ILE . 8.4 t -67.48 149.34 50.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 4.3 t30 -95.56 -15.74 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.566 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.2 t30 -95.12 -73.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.1 p -77.08 -24.6 51.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 39.0 mmtt 70.09 40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 24.0 tt0 -81.54 118.28 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.8 t80 -146.6 127.24 7.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 168.31 67.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.591 HD11 ' N ' ' A' ' 34' ' ' CYS . 29.6 mt -99.41 102.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.87 -39.77 95.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.63 -176.34 39.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.67 175.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -120.73 100.23 6.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -94.5 152.49 18.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 32.0 ttmt -146.81 140.46 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 t -87.82 131.19 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -91.08 3.64 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -114.44 -25.89 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 m -95.84 -175.02 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -116.08 134.18 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 41.66 41.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.672 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 5.4 t80 -104.54 132.16 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.532 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 1.9 m80 -149.33 129.21 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 36' ' ' ASN . 16.9 mt -112.49 154.72 25.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.1 p -99.6 148.55 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.1 tp60 -35.95 -41.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.417 ' HB3' HD22 ' A' ' 57' ' ' LEU . 5.7 m -56.11 -42.87 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.88 -39.56 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.06 -27.13 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -61.48 -30.2 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CD2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-85 58.3 55.06 5.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -115.26 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.672 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -61.48 -10.35 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 65' ' ' TYR . 9.9 mt -40.3 -34.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' LEU . 24.3 m -37.07 -43.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -93.33 168.36 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.2 m -84.47 111.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -104.91 167.3 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -150.62 138.74 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 5.4 p90 -104.78 149.21 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 1.4 ptp85 -109.23 -179.29 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.524 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.2 mt-10 -134.13 168.69 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 1.8 mtmp? -47.6 164.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 10.9 mpt_? -37.05 156.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 64.37 42.23 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 28.4 mm-40 -146.33 -179.21 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -145.39 153.22 40.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 55.8 m95 -46.24 173.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.586 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -172.8 136.41 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.812 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.1 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.31 -119.64 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.704 ' O ' HD12 ' A' ' 42' ' ' ILE . 22.1 mt -145.33 138.36 14.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.68 155.31 66.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.496 ' SG ' HD23 ' A' ' 57' ' ' LEU . 13.0 t -69.71 153.99 42.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -95.93 -27.4 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -86.14 -74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.1 p -71.94 -28.96 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 22.1 mmtp 68.66 46.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.3 tt0 -87.67 121.13 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.516 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.7 126.29 6.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.707 0.765 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 167.19 72.08 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.32 0.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 32' ' ' ILE . 44.6 mt -93.69 109.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.77 -57.52 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.28 -179.38 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -54.95 -179.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -119.5 125.76 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 2.2 m-85 -123.48 152.12 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 17.1 pttt -152.32 145.17 24.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 49.4 t -83.38 120.13 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 p -81.14 7.56 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -114.3 -31.65 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -95.02 -174.53 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -122.26 133.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 51.83 48.0 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 7.9 t80 -125.41 105.97 9.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.485 ' CD2' HD13 ' A' ' 32' ' ' ILE . 7.1 m80 -130.01 132.66 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.81 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 34' ' ' CYS . 54.7 mt -113.23 -178.77 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.9 p -120.25 147.17 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.494 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 18.1 tp60 -34.38 -41.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.48 -69.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.7 m -47.69 -44.32 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -48.65 -39.12 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.42 -34.07 60.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 t -63.53 -23.46 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.614 ' CG ' HD13 ' A' ' 68' ' ' LEU . 5.5 m-85 61.37 31.23 19.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.01 -75.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.409 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.3 t60 -76.73 -12.91 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD13 ' CG ' ' A' ' 65' ' ' TYR . 4.5 tt -42.39 -25.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -43.36 -43.66 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -82.26 166.22 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 m -70.0 112.92 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.0 m-85 -111.03 163.47 13.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 84' ' ' SER . 17.3 p -146.3 133.58 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 5.6 p90 -104.7 152.59 22.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -115.15 176.39 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.6 mt-10 -126.08 169.32 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 16.8 mttp -46.77 163.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 11.8 tpp180 -37.73 158.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 3.3 m-20 63.24 39.8 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.513 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 7.0 mm-40 -143.26 -175.2 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -143.84 151.02 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 73.2 m95 -47.74 162.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 13.5 mtp180 -142.21 132.05 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 73' ' ' THR . 70.3 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 41' ' ' PRO . 3.7 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.95 -104.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 33' ' ' PRO . 17.8 mt -141.46 140.14 20.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.0 Cg_endo -69.85 169.94 17.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' HD23 ' A' ' 57' ' ' LEU . 12.2 t -81.88 154.43 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.4 m-80 -96.72 -28.73 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' A' ' 57' ' ' LEU . 23.1 t30 -83.61 -74.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.5 p -73.37 -28.45 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 18.2 mmmt 68.71 43.43 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' NE2' ' OE2' ' A' ' 43' ' ' GLU . 11.8 tt0 -82.9 119.53 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.68 127.52 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.495 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 164.6 78.98 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 0.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 32' ' ' ILE . 18.1 mt -91.6 124.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 44' ' ' GLY . 3.2 pm0 -89.08 -32.63 17.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 43' ' ' GLU . . . -85.22 173.1 48.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -46.78 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 75' ' ' ARG . 42.8 t -114.69 111.19 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 40.2 m-85 -109.26 152.84 24.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.2 tttm -142.75 141.87 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 33.9 t -84.2 117.79 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 p -81.38 2.81 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.39 -25.34 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.7 m -100.34 -175.05 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.0 mt -120.41 137.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 45.2 54.98 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -127.19 133.96 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.544 ' NE2' HD13 ' A' ' 32' ' ' ILE . 14.1 m80 -149.61 135.81 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 ' SG ' ' A' ' 34' ' ' CYS . 16.3 mt -118.72 166.25 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' GLN . 25.7 p -112.64 150.45 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.1 tp60 -37.35 -42.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.54 -64.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -54.42 -36.22 63.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 23.4 t80 -60.34 -32.56 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.68 -28.83 61.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -77.65 -25.21 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 16.1 m-85 57.83 44.18 20.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -81.38 -65.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 t60 -72.17 -12.04 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -41.46 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' HIS . 48.6 m -45.09 -30.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -99.55 172.33 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.6 m -80.06 101.99 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.6 m-85 -99.7 169.81 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -153.76 138.78 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 19.4 p90 -104.67 146.09 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -100.71 179.94 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 75' ' ' ARG . 49.3 mt-10 -132.97 166.81 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.41 162.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -38.46 155.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 65.88 35.8 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -145.17 173.44 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.23 158.04 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.599 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 70.6 m95 -47.76 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 26.4 mtp180 -147.79 144.19 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.835 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 30.7 -112.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 33' ' ' PRO . 21.4 mt -143.25 138.49 15.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.76 165.25 31.61 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.492 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.6 t -73.29 150.97 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.7 -13.24 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 11.7 t30 -98.31 -73.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 25.1 p -78.29 -18.51 55.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 36' ' ' ASN . 1.4 mptp? 62.61 40.45 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.407 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 17.0 tt0 -78.79 119.93 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.28 126.18 6.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 164.64 78.67 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.386 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 32' ' ' ILE . 22.1 mt -89.66 93.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.61 -57.21 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.8 -168.85 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 76' ' ' GLU . 6.8 mmtt -63.69 179.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.8 m -118.63 107.59 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.9 m-85 -97.16 154.99 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.651 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -156.42 137.0 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.9 t -80.9 128.05 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 p -89.91 5.86 44.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.22 -26.0 7.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -94.64 -175.67 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 mm -119.77 132.2 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 48.6 49.07 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.462 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 4.8 t80 -119.53 127.91 53.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -146.33 132.07 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 57' ' ' LEU . 18.3 mt -119.41 168.57 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 60' ' ' GLU . 26.8 p -113.38 144.7 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' CYS . 22.1 tp60 -33.36 -34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 6.2 tt0 -65.92 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.64 -28.42 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.709 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 25.3 t80 -62.58 -39.63 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.57 -18.42 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -65.6 -27.72 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.98 ' HA ' HD13 ' A' ' 68' ' ' LEU . 3.3 m-85 58.97 53.93 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 t -115.61 -45.23 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t60 -95.28 -13.64 24.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.98 HD13 ' HA ' ' A' ' 65' ' ' TYR . 6.9 mp -43.28 -29.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -41.58 -46.02 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -81.43 168.14 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -79.73 110.59 15.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.8 m-85 -110.01 164.15 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 84' ' ' SER . 41.1 p -154.03 138.09 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 83' ' ' ARG . 42.4 p90 -106.16 160.66 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 82' ' ' TRP . 6.9 mmt180 -107.4 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.9 mp0 -134.61 167.78 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 12.5 pttp -48.1 163.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 2.0 tpp180 -38.07 156.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 64.91 43.06 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 15.5 mm-40 -147.75 176.29 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -147.08 148.03 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.651 ' CH2' ' CD ' ' A' ' 48' ' ' LYS . 97.0 m95 -34.38 151.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 74' ' ' PHE . 54.2 mtp180 -131.16 132.4 44.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.506 ' HA ' HG22 ' A' ' 73' ' ' THR . 71.6 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.31 -113.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.699 ' O ' HD12 ' A' ' 42' ' ' ILE . 25.4 mt -141.79 139.52 18.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.3 Cg_endo -69.82 164.45 34.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 57' ' ' LEU . 14.3 t -75.16 148.2 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -94.35 -10.79 31.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.664 ' HB2' HD21 ' A' ' 57' ' ' LEU . 1.1 t30 -100.65 -72.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 17.9 p -77.12 -24.86 51.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 42.3 mmtt 69.17 42.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.0 tt0 -83.92 121.48 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.67 127.45 7.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 166.41 74.14 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.379 -0.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 32' ' ' ILE . 12.2 mt -91.72 105.86 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.81 -57.22 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.78 179.39 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -52.76 179.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -119.94 112.98 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 53.9 m-85 -115.33 148.14 39.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 21.6 pttt -146.21 141.62 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 37.8 t -78.8 126.8 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.9 p -87.96 5.56 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -115.61 -26.58 7.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -94.7 -173.77 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' GLU . 48.0 mm -115.13 138.42 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ILE . 17.3 pt-20 37.03 39.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 5.0 t80 -104.97 119.64 39.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . 7.0 m80 -140.71 131.4 25.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.664 HD21 ' HB2' ' A' ' 36' ' ' ASN . 25.5 mt -112.58 -178.52 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.1 p -123.64 145.28 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.7 tp60 -33.85 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.29 -61.88 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 m -57.37 -39.46 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.98 -37.49 69.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.95 -37.6 66.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -65.13 -11.1 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.682 ' CG ' HD13 ' A' ' 68' ' ' LEU . 4.4 m-85 52.41 34.11 14.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 86.5 m -74.01 -75.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.1 t60 -75.22 -12.87 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 65' ' ' TYR . 3.1 tt -42.44 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' HIS . 66.5 m -45.51 -44.68 12.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -82.73 162.33 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -69.02 108.53 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.597 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -106.53 157.64 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 128.96 34.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 1.4 p90 -106.36 140.06 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.554 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -103.72 176.38 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -110.69 169.42 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 2.7 ptpp? -46.09 164.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 13.1 tpt180 -36.99 156.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.1 t-20 59.84 45.47 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mm100 -148.72 -175.78 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 2.8 mmmp? -127.71 -178.41 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.584 ' CH2' ' HD3' ' A' ' 48' ' ' LYS . 93.3 m95 -75.97 170.9 15.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 24.2 mtp85 -144.54 129.36 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.787 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.438 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 39.26 -101.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.726 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.8 mt -143.44 139.68 16.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.68 159.19 54.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.373 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.536 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.6 t -67.55 152.42 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -95.99 -23.51 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -88.21 -74.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.7 p -74.01 -27.32 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 20.7 mmmt 68.89 43.19 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 9.0 tt0 -83.53 123.0 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 2.0 t80 -146.95 125.5 6.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.71 167.89 69.25 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.371 -0.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 42' ' ' ILE . 28.1 mt -93.43 84.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -39.77 -57.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -67.68 -174.04 7.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -58.2 168.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.13 106.79 13.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.42 153.07 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -144.64 122.74 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 48.8 t -66.56 126.24 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -90.57 4.11 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -111.26 -24.83 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 m -101.33 -174.74 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.64 137.4 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 48.09 42.95 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -121.68 127.99 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.495 ' CE1' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -145.13 133.55 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD12 ' CE2' ' A' ' 72' ' ' PHE . 27.1 mt -114.83 165.88 12.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.8 p -112.31 149.03 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.7 tp60 -33.79 -44.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.17 -67.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -50.35 -38.95 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -54.57 -36.97 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -61.31 -21.46 63.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 t -64.7 -28.22 69.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CG ' HD22 ' A' ' 68' ' ' LEU . 5.5 m-85 57.95 50.7 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.13 -50.27 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -89.89 -12.37 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.681 HD22 ' CG ' ' A' ' 65' ' ' TYR . 9.4 mp -42.59 -25.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -36.65 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -92.18 158.42 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 m -74.8 107.63 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -98.55 176.29 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -151.54 134.68 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 83' ' ' ARG . 14.2 p90 -111.26 148.52 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.55 ' HG3' ' CD2' ' A' ' 82' ' ' TRP . 13.0 mtt180 -101.84 172.6 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.16 168.31 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ARG . 24.6 pttt -47.97 163.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' LYS . 12.7 tpp180 -36.54 155.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.8 m-80 63.91 42.55 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -149.91 -175.07 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 159.51 44.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.55 ' CD2' ' HG3' ' A' ' 75' ' ' ARG . 82.8 m95 -39.37 155.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 16.7 mtm180 -142.13 128.0 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -147.76 162.73 38.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.877 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 119.29 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.79 94.92 0.65 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -64.36 127.72 32.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -60.88 177.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.98 -89.38 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 tp 66.35 40.11 3.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.755 0.312 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -171.08 129.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -115.51 108.04 15.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -146.59 176.33 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.78 40.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -70.16 131.94 45.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -56.1 177.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.4 t -149.76 150.51 32.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.79 104.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -148.03 150.0 33.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.92 124.86 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.23 143.84 44.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.8 159.18 26.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.41 102.05 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.79 151.1 47.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -87.83 80.72 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -175.08 135.04 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' HG3' HD21 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -46.32 111.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 26' ' ' LEU . 1.1 pt? -108.62 -32.29 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -131.56 165.14 24.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -81.99 39.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -117.13 28.99 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' A' ' 41' ' ' PRO . 4.1 mm? -67.66 -42.31 82.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.43 -104.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.676 HD13 ' NE2' ' A' ' 56' ' ' HIS . 15.4 mt -139.98 139.16 20.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.79 162.58 41.56 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.535 ' N ' HD11 ' A' ' 42' ' ' ILE . 18.1 t -71.31 152.35 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.59 -16.55 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -95.18 -73.74 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 22.3 p -77.47 -24.78 50.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 3.3 mmmm 70.33 37.15 1.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 17.6 tt0 -72.96 120.01 18.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.7 t80 -146.74 125.11 6.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.605 ' HB3' HD13 ' A' ' 30' ' ' LEU . 53.2 Cg_endo -69.77 168.69 66.64 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.316 0.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 42' ' ' ILE . 25.7 mt -95.8 77.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -41.37 -46.49 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.48 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -69.87 -179.67 25.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.502 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.63 173.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -120.25 116.02 24.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -115.93 154.91 28.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.962 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 10.0 ptmm? -149.8 147.59 28.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 36.1 t -88.03 124.43 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -89.04 15.23 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -123.14 -27.83 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.47 -175.52 3.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.7 mm -118.0 129.97 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 49.19 51.21 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.555 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 12.0 t80 -122.36 129.61 52.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.676 ' NE2' HD13 ' A' ' 32' ' ' ILE . 24.5 m80 -144.85 141.08 28.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD23 ' SG ' ' A' ' 34' ' ' CYS . 12.2 mt -121.12 174.81 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 p -121.53 158.58 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -44.56 -38.66 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -61.39 -67.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 61.9 m -53.38 -31.12 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' HZ ' HD13 ' A' ' 85' ' ' LEU . 24.5 t80 -65.71 -34.27 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -56.96 -23.59 46.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.4 t -83.89 -16.82 42.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 8.6 m-85 52.13 40.58 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.89 -59.83 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.555 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -78.1 -12.82 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.8 OUTLIER -42.51 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 52.9 m -46.8 -33.3 4.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -97.01 172.42 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.7 m -78.8 102.98 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.9 m-85 -102.33 166.97 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.8 p -148.02 131.92 17.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 11.8 p90 -105.0 150.72 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 mtm180 -101.47 179.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -131.74 167.82 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.4 pttm -48.18 161.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 77' ' ' LYS . 9.1 mmt180 -35.34 153.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 5.9 m-20 64.42 43.15 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 79' ' ' ASN . 24.0 mm100 -150.21 166.87 28.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -126.98 158.58 36.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.585 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 92.7 m95 -43.83 165.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.583 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 11.8 mtp180 -144.03 144.92 31.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 m -81.54 115.98 21.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD13 ' HZ ' ' A' ' 62' ' ' PHE . 10.0 mt -66.01 156.69 32.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -84.35 158.76 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -75.92 51.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -75.78 86.51 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.81 93.13 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' VAL . 17.6 t70 -75.55 -56.99 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -42.78 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' ASP . 12.3 p -123.96 -20.91 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.4 m -55.57 -57.48 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.73 84.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.469 ' O ' ' C ' ' A' ' 96' ' ' SER . 54.1 Cg_endo -69.79 4.49 2.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 95' ' ' PRO . 4.3 m -32.01 -44.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -127.96 -68.76 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.505 -179.985 . . . . . . . . 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 -0.324 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.4 p -148.36 156.19 42.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 p -125.63 167.64 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.01 173.62 22.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -172.04 177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 0.0 110.859 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -167.2 172.74 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 167.13 116.03 0.35 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD22 ' C ' ' A' ' 7' ' ' GLY . 4.5 mm? -121.18 170.86 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.774 0.321 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -118.51 149.5 41.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -111.05 166.64 10.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -123.97 179.26 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 tptp -166.56 151.15 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -155.5 168.34 27.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.3 p -167.38 177.86 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.0 p -160.69 175.14 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.99 148.85 34.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tt -134.74 106.98 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -142.26 126.15 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.17 146.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.45 152.53 22.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.1 42.61 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -100.79 99.19 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? 41.02 48.75 2.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -129.5 121.82 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HD3' HD23 ' A' ' 30' ' ' LEU . 3.0 ppt_? -121.67 -174.95 2.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 tp -99.73 152.36 20.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -95.03 44.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.64 -57.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 18.3 p-80 -134.98 78.98 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.9 mt -65.56 -42.14 92.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.7 -117.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.691 ' O ' HD12 ' A' ' 42' ' ' ILE . 27.5 mt -144.9 135.79 12.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.78 158.18 57.83 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' HD23 ' A' ' 57' ' ' LEU . 15.8 t -66.56 152.84 44.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -95.35 -21.24 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.533 ' HB2' HD21 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -92.15 -73.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.7 p -73.47 -26.81 61.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 47.5 mmtt 68.55 42.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.2 tt0 -82.76 123.59 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.81 127.01 6.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.2 Cg_endo -69.82 169.08 65.32 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 -1.819 . . . . 0.0 112.296 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.691 HD12 ' O ' ' A' ' 32' ' ' ILE . 20.7 mt -95.03 82.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -41.56 -52.88 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -67.89 -174.47 8.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -60.31 175.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.0 t -119.88 126.78 51.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 2.3 m-85 -117.54 153.9 32.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.3 ttpp -142.25 140.23 32.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 40.3 t -88.66 121.24 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 p -84.59 10.63 10.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -120.21 -26.97 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.5 m -97.19 -174.68 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' A' ' 54' ' ' GLU . 50.5 mm -112.18 130.94 64.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' HG2' HG22 ' A' ' 53' ' ' ILE . 17.1 pt-20 40.84 43.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.577 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 7.2 t80 -105.47 133.99 49.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 48' ' ' LYS . 4.5 m80 -147.49 144.59 28.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.606 HD23 ' SG ' ' A' ' 34' ' ' CYS . 12.6 mt -124.22 168.68 12.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.2 p -113.47 146.23 39.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -34.89 -38.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -61.33 -66.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' CB ' HD22 ' A' ' 57' ' ' LEU . 29.5 m -50.56 -35.13 28.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.674 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 27.8 t80 -63.18 -30.06 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.53 -25.23 62.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.3 t -84.07 -18.88 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 55.39 39.5 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.0 t -78.97 -60.07 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.577 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.7 t60 -75.49 -11.69 60.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.611 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -41.36 -28.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.3 m -42.5 -36.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -97.29 156.62 16.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 m -68.07 101.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.509 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -99.53 158.13 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -139.06 138.59 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 4.5 p90 -106.53 154.45 20.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.583 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -101.43 179.07 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 18.5 mt-10 -130.06 166.49 20.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 78' ' ' ARG . 15.9 pttm -48.93 165.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 8.4 tpt180 -37.11 160.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.532 ' CG ' ' O ' ' A' ' 78' ' ' ARG . 10.9 p30 51.24 53.52 12.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 57.2 mm-40 -153.53 -176.02 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.87 156.17 43.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 29.0 m95 -59.4 171.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.424 ' HG2' ' CE1' ' A' ' 74' ' ' PHE . 5.6 ptm180 -174.39 160.87 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.7 t -58.44 158.77 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.674 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 7.3 mt -100.6 158.94 15.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.85 119.29 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -55.14 107.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -132.76 94.62 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.92 79.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.03 178.25 6.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -80.02 134.05 36.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 p -128.76 137.51 57.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -114.89 142.41 46.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.82 92.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.45 14.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.276 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.1 t -153.76 162.65 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.9 t -156.64 159.29 38.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.487 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -117.72 139.7 50.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -52.83 -50.42 63.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.46 -110.62 2.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -165.74 132.41 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -174.72 137.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.71 -179.54 18.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.7 mt -131.99 176.13 8.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -93.06 169.74 10.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -90.96 147.9 22.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -81.75 108.86 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -75.28 83.92 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -104.04 97.5 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.8 m -153.76 128.31 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 m -99.33 99.58 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.46 122.55 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.25 105.82 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 19' ' ' ALA . 14.4 p -89.65 154.0 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 18' ' ' VAL . . . -55.36 153.73 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.71 111.55 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.05 166.33 33.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -120.56 -59.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.91 145.81 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -62.43 104.94 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.93 157.69 24.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -103.43 86.15 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 28' ' ' LYS . 3.3 t70 -49.43 -48.78 47.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HB3' ' CD2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -31.15 -53.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -132.27 92.81 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 31' ' ' GLY . 10.9 mt -96.01 -41.34 8.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 36.71 -116.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.819 ' O ' HD12 ' A' ' 42' ' ' ILE . 20.3 mt -143.83 139.32 16.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.701 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.77 158.1 58.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.548 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.9 t -69.01 151.25 46.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.57 -12.65 27.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.94 -72.81 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.9 p -76.45 -22.3 54.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.8 mmmp? 67.16 40.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 33.3 tt0 -76.79 119.69 20.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.94 124.98 6.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.672 0.749 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.76 168.03 68.94 Favored 'Cis proline' 0 C--O 1.232 0.207 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.38 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 32' ' ' ILE . 13.1 mt -95.15 105.31 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -66.24 -49.99 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -68.33 -178.83 16.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -54.97 173.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.24 111.13 17.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 3.6 m-85 -107.02 153.79 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 28.0 tttm -142.43 144.24 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 46.6 t -88.15 118.49 27.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 p -82.47 9.89 8.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -119.06 -26.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -98.61 -174.85 2.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -119.49 129.16 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 50.4 52.24 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -123.58 131.04 53.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' HD13 ' A' ' 32' ' ' ILE . 10.4 m80 -146.79 134.64 21.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 72' ' ' PHE . 15.9 mt -113.04 170.6 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.4 p -117.07 146.54 43.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' CYS . 6.7 tp60 -34.67 -37.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -61.98 -68.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.8 m -51.46 -32.52 27.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.725 ' CZ ' HD11 ' A' ' 68' ' ' LEU . 35.1 t80 -64.23 -30.47 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -59.25 -26.41 64.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.4 t -82.48 -22.31 35.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 62' ' ' PHE . 7.7 m-85 56.51 43.44 25.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.95 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.5 -57.95 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.1 t60 -80.71 -12.34 59.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.725 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.8 OUTLIER -42.05 -23.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' HIS . 55.9 m -44.69 -32.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -96.92 176.76 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 m -84.91 102.24 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.2 m-85 -99.59 170.67 8.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -152.77 137.77 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 5.8 p90 -104.98 142.56 34.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.577 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.6 OUTLIER -102.9 -179.68 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -128.29 167.43 16.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 78' ' ' ARG . 13.1 pttm -48.28 164.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.5 tpp85 -37.4 157.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 63.04 39.19 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -146.27 -175.15 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 157.33 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 50.7 m95 -47.16 161.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.493 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 31.0 mtp180 -138.51 126.36 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -67.94 106.43 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.78 156.36 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.76 157.83 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -60.91 106.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -61.81 174.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.58 106.27 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -142.3 128.93 20.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.23 171.94 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 p -77.53 150.67 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -163.91 146.69 9.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.43 -85.92 0.44 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.555 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 105.24 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 84.1 p -77.81 149.58 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t -106.57 143.76 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.459 179.984 . . . . . . . . 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 -0.361 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 t -127.32 127.34 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 m -129.99 177.31 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.18 -143.97 3.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -152.19 177.49 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.826 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -154.01 161.88 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.12 -152.36 10.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -126.59 179.49 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -127.32 169.83 13.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -99.76 150.09 22.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -68.88 177.4 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -104.75 165.09 11.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -65.77 174.75 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -119.01 178.43 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -63.7 173.78 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -106.58 174.5 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -129.9 160.91 32.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -130.13 144.39 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.1 166.18 11.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.13 148.56 37.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.48 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -137.5 161.43 36.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -46.36 117.72 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -117.31 99.75 7.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -137.35 108.97 6.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 27' ' ' ASP . 6.5 tt -113.59 -67.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.714 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.2 m-20 -59.79 147.46 38.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -83.4 33.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.553 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 3.1 t60 -134.96 89.42 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.6 mm? -67.28 -41.76 84.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA3' ' CE1' ' A' ' 29' ' ' HIS . . . 33.17 -117.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.502 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.844 ' O ' HD12 ' A' ' 42' ' ' ILE . 26.1 mt -144.74 137.69 13.82 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.575 0.702 . . . . 0.0 111.156 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.2 Cg_endo -69.79 157.27 60.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.637 2.225 . . . . 0.0 112.367 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.538 ' N ' HD11 ' A' ' 42' ' ' ILE . 13.7 t -71.93 155.46 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.57 -24.99 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.55 -74.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.1 p -72.11 -27.27 62.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 5.8 mmmm 68.0 44.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -82.42 122.57 28.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -146.91 123.39 5.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.687 0.756 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 168.98 65.66 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.352 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.844 HD12 ' O ' ' A' ' 32' ' ' ILE . 16.7 mt -95.21 114.56 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.14 -56.6 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' LYS . . . -58.79 177.71 1.94 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' GLY . 7.1 mmtm -49.83 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.759 0.314 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' CE1' ' A' ' 29' ' ' HIS . 82.4 m -118.46 100.11 7.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -94.87 154.4 17.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -156.95 132.14 9.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -77.13 115.53 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.407 ' HG1' ' HB ' ' A' ' 71' ' ' THR . 22.8 p -80.79 0.76 33.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -109.71 -25.84 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.7 m -98.73 -173.98 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.1 mm -116.57 140.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 39.0 44.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.539 ' CZ ' ' ND1' ' A' ' 67' ' ' HIS . 3.1 t80 -112.69 128.47 56.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.417 ' CD2' HD13 ' A' ' 32' ' ' ILE . 1.5 m80 -149.52 135.96 19.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.423 HD23 ' SG ' ' A' ' 34' ' ' CYS . 39.6 mt -125.34 171.01 10.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.7 p -111.04 142.74 42.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' CYS . 25.6 tp60 -34.9 -38.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -58.87 -64.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.9 m -53.72 -44.39 69.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -48.08 -43.55 30.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -54.62 -28.39 46.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.6 t -64.36 -18.63 64.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.769 ' C ' HD12 ' A' ' 68' ' ' LEU . 11.6 m-85 59.62 53.7 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.567 ' N ' HD12 ' A' ' 68' ' ' LEU . 13.6 m -103.83 -67.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.539 ' ND1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t60 -92.09 -13.06 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.839 ' C ' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -47.61 -17.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.563 ' N ' HD22 ' A' ' 68' ' ' LEU . 42.1 m -53.15 -43.96 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -75.62 173.23 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.407 ' HB ' ' HG1' ' A' ' 50' ' ' THR . 7.9 m -76.48 101.77 5.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.439 ' C ' HD12 ' A' ' 85' ' ' LEU . 3.6 m-85 -104.88 163.49 12.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.5 p -145.19 142.42 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' ' HD2' ' A' ' 83' ' ' ARG . 28.0 p90 -107.89 155.27 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.585 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 27.7 mmm-85 -109.64 171.6 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 18.8 mt-10 -134.37 167.54 20.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -48.56 164.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 78' ' ' ARG . 10.7 mpt_? -38.61 160.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 3.2 m120 62.63 38.37 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.519 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 10.9 mm-40 -144.37 -176.32 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -150.34 159.56 44.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.585 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 97.0 m95 -45.02 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.586 ' HD2' ' CE1' ' A' ' 74' ' ' PHE . 21.9 mtt-85 -151.29 132.59 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.4 p -74.03 121.96 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 72' ' ' PHE . 10.6 mt -73.5 146.68 44.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -67.26 134.5 51.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.03 112.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -146.74 110.35 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.75 -61.49 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.7 OUTLIER 45.38 43.26 8.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -123.54 136.09 54.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.5 t -93.67 148.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 t -55.93 148.03 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 95' ' ' PRO . . . 162.31 -145.36 10.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 94' ' ' GLY . 53.6 Cg_endo -69.71 164.72 33.42 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.8 m -95.46 104.08 15.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 t -56.51 -60.71 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -102.45 156.51 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.897 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -145.96 147.57 31.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.27 133.6 1.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -70.61 95.79 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p -76.22 -35.19 59.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.5 49.93 17.49 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -147.6 127.8 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -168.95 124.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.05 154.28 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -119.61 85.83 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -166.36 120.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -169.72 120.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 35.4 p -162.25 105.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.9 p -168.53 138.31 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.87 160.44 24.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.05 149.71 26.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.76 83.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.94 147.43 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.23 160.57 14.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.67 159.7 24.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -150.72 157.87 43.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -127.35 89.31 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -172.85 136.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 175.35 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -159.9 157.76 29.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' HIS . 21.3 t70 63.67 32.55 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.9 OUTLIER 32.45 35.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 27' ' ' ASP . 45.8 t60 -100.78 68.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.483 ' O ' ' C ' ' A' ' 31' ' ' GLY . 3.4 mm? -83.63 -41.98 17.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.89 -115.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.532 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.718 HD13 ' NE2' ' A' ' 56' ' ' HIS . 18.9 mt -142.94 138.78 16.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.7 157.17 61.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.39 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.603 ' SG ' HD23 ' A' ' 57' ' ' LEU . 10.7 t -66.22 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -94.76 -6.54 42.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.711 ' HB2' HD21 ' A' ' 57' ' ' LEU . 57.6 t30 -103.86 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.84 -17.72 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 62.12 45.07 7.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -85.95 119.58 26.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.76 122.99 5.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.696 0.76 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.8 Cg_endo -69.77 163.41 81.93 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.3 0.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.552 HD11 ' N ' ' A' ' 34' ' ' CYS . 35.3 mt -88.72 109.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -57.61 -57.28 13.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.46 -170.34 3.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -64.69 175.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.82 112.4 24.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.22 154.91 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -147.72 137.03 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 30.4 t -82.5 128.18 34.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.5 p -89.66 -1.28 57.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.64 -22.9 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 11.9 m -101.2 -174.35 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' GLU . 73.8 mt -119.11 142.32 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 38.05 39.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.692 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 6.4 t80 -109.36 128.96 55.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.718 ' NE2' HD13 ' A' ' 32' ' ' ILE . 1.9 m80 -146.83 131.42 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.711 HD21 ' HB2' ' A' ' 36' ' ' ASN . 18.2 mt -116.31 169.2 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.1 p -110.47 143.62 40.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 18.1 tp60 -32.96 -38.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -63.06 -65.4 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.457 ' HB3' HD22 ' A' ' 57' ' ' LEU . 15.4 m -50.95 -41.11 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -50.07 -39.26 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.11 -28.22 67.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.5 m -54.31 -26.98 32.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.942 ' HA ' HD13 ' A' ' 68' ' ' LEU . 3.5 m-85 59.5 54.17 4.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 9.0 t -118.69 -47.33 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.692 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -88.93 -12.62 41.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.942 HD13 ' HA ' ' A' ' 65' ' ' TYR . 8.2 mp -42.77 -29.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.21 -31.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -101.75 152.76 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.4 m -71.77 104.71 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.554 ' C ' HD12 ' A' ' 85' ' ' LEU . 3.6 m-85 -95.06 170.79 9.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -145.62 131.38 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.156 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 3.7 p90 -106.03 140.33 39.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.575 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -106.83 -179.82 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 80' ' ' GLN . 19.3 mm-40 -127.5 167.28 16.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 78' ' ' ARG . 49.3 pttt -48.55 163.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' LYS . 20.6 mmt85 -37.47 155.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.4 t30 65.49 39.31 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 26.8 mm100 -146.32 -175.1 4.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -143.97 153.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 86.6 m95 -46.64 161.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.585 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 28.1 mtt-85 -138.57 123.99 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -59.16 126.94 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 72' ' ' PHE . 10.9 mt -87.58 161.16 17.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -109.48 112.12 24.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 88' ' ' ARG . 18.7 pttp -50.73 137.96 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 87' ' ' LYS . 23.6 ttt85 32.58 41.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 39.79 53.5 2.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -147.06 129.1 15.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -119.56 143.59 47.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.27 144.24 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 94' ' ' GLY . 1.1 t -162.47 129.47 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 93' ' ' SER . . . 37.82 -158.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.57 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.4 m -72.16 -62.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 m -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.534 -179.997 . . . . . . . . 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 -0.337 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -144.55 177.91 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 m -155.38 170.61 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.98 -171.61 14.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -165.22 173.85 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -152.24 156.08 39.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -149.71 8.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 tp -155.9 150.64 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.331 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -115.46 174.87 5.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -123.11 173.1 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -96.01 172.09 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -132.41 178.52 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -71.32 178.13 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.9 t -92.89 172.42 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -89.88 167.79 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -117.49 162.35 18.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.9 158.29 4.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -134.08 115.81 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.79 170.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.13 163.2 21.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.64 176.58 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -108.78 161.7 14.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -112.88 133.66 54.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -97.39 175.49 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.673 ' HG3' HD11 ' A' ' 30' ' ' LEU . 4.6 tpp85 -92.54 156.68 16.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.661 HD22 ' HG3' ' A' ' 41' ' ' PRO . 8.0 mp -122.32 122.9 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -71.83 -23.76 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -44.71 -44.65 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -172.12 114.54 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD11 ' HG3' ' A' ' 25' ' ' ARG . 3.9 mm? -94.99 -41.93 8.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.82 -117.02 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.469 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.59 HD13 ' NE2' ' A' ' 56' ' ' HIS . 24.9 mt -143.94 132.86 11.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.657 0.741 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 54.1 Cg_endo -69.74 160.06 51.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.334 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 16.4 t -66.26 153.13 43.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' HIS . 10.6 t-20 -96.02 -23.18 16.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.91 -74.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -74.72 -26.34 59.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 68.26 41.05 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 66.3 tt0 -77.73 118.2 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -147.03 128.62 7.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.661 ' HG3' HD22 ' A' ' 26' ' ' LEU . 53.4 Cg_endo -69.79 160.68 87.72 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.345 -0.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 42' ' ' ILE . 23.6 mt -87.22 84.97 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -44.59 -47.64 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -72.82 -172.24 21.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -62.26 177.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.408 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 11.0 t -120.3 133.3 55.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.2 m-85 -133.53 154.64 50.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 16.8 pttp -154.53 152.45 30.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 22.3 t -88.92 128.13 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.6 p -89.16 10.85 20.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -119.8 -27.56 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 -174.99 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.3 mm -119.93 132.94 68.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 47.22 54.54 9.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -126.34 127.65 45.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.59 ' NE2' HD13 ' A' ' 32' ' ' ILE . 16.3 m80 -148.31 133.43 18.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.88 -178.64 3.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 59' ' ' GLN . 30.4 p -125.3 147.57 49.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 tp60 -34.49 -38.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.5 -68.2 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 54.7 m -51.91 -29.1 18.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.787 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 27.6 t80 -68.07 -33.26 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -54.01 -29.47 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.3 t -78.66 -20.81 49.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 17.1 m-85 52.71 51.56 15.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.87 -65.63 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.5 t60 -70.35 -12.15 61.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -41.52 -23.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 67' ' ' HIS . 56.3 m -45.09 -28.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.65 177.11 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -81.25 109.91 16.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -109.67 165.53 11.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 p -150.64 134.13 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.9 p90 -104.82 148.66 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.589 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -113.54 177.15 4.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 mm-40 -124.8 167.56 14.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 78' ' ' ARG . 22.0 pttt -48.23 164.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.3 mpt_? -36.59 156.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 64.18 37.43 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 47.3 mm-40 -148.24 170.27 18.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 161.58 29.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.589 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 74.2 m95 -50.01 172.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.588 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 20.3 mtt-85 -152.84 134.71 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.6 p -72.34 112.35 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.787 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 8.8 mt -56.74 145.7 28.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -119.64 159.02 25.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm 52.51 51.85 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.654 ' HB2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -106.46 159.25 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.85 105.38 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -101.3 84.34 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -146.95 110.94 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -44.52 130.06 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.8 t -151.55 117.24 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -36.48 143.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.43 3.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.1 p -91.68 157.19 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.0 m -73.23 -49.82 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.475 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -151.93 150.44 30.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -130.09 173.02 11.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.04 -146.43 4.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -158.23 173.06 17.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -153.61 169.46 23.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.97 -166.43 25.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 tp -174.94 157.04 2.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -115.69 171.93 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -133.04 168.78 17.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 11.5 t80 -122.73 175.92 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 11' ' ' PHE . 2.5 mppt? -147.99 171.36 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -123.78 168.3 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -125.23 177.7 5.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.14 172.93 11.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -91.18 157.95 16.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 tp -118.3 150.69 39.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.9 169.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -171.69 140.98 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.01 175.12 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.41 152.58 37.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -71.41 105.92 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 141.19 28.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -149.03 135.99 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 21.8 ttm105 -133.21 145.2 50.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.82 82.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.4 p30 -48.54 -30.86 5.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -70.73 112.29 6.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.2 t60 74.34 49.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.493 ' O ' ' C ' ' A' ' 31' ' ' GLY . 12.2 mt -71.23 -42.25 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.97 -116.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.696 HG23 ' HD2' ' A' ' 33' ' ' PRO . 18.6 mt -144.36 139.08 15.31 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.74 157.38 60.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.365 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 10.0 t -65.85 150.18 49.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 55' ' ' TYR . 3.2 m120 -95.95 -10.48 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -71.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 24.8 p -81.22 -16.4 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER 62.48 39.14 12.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 36.8 tt0 -77.67 119.01 20.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.5 t80 -146.8 124.77 6.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.74 168.6 66.81 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.319 -0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 42' ' ' ILE . 25.9 mt -95.08 91.05 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -43.92 -57.58 3.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -65.26 -173.83 4.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -59.74 178.82 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 t -118.06 134.47 54.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.486 ' CE2' ' CD2' ' A' ' 62' ' ' PHE . 3.2 m-85 -128.94 140.83 51.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -136.34 135.91 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 34.3 t -82.73 127.62 33.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -89.1 1.29 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -113.0 -23.9 9.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 m -99.2 -177.54 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 54' ' ' GLU . 81.3 mt -112.98 140.11 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 53' ' ' ILE . 14.1 pt-20 34.79 40.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.793 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 12.4 t80 -109.01 129.91 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.583 ' NE2' HD13 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -149.27 134.37 18.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.839 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 61' ' ' CYS . 28.4 mt -113.38 162.74 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -107.42 147.54 30.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 58' ' ' CYS . 31.4 tp60 -33.38 -41.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -61.51 -62.21 1.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.518 ' HB3' HD22 ' A' ' 57' ' ' LEU . 10.9 m -54.64 -41.24 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 12.4 t80 -53.54 -40.08 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -51.42 -28.65 13.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -57.45 -31.31 65.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.8 m-85 60.7 54.93 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -117.89 -63.0 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.793 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.6 t-160 -59.66 -10.54 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.571 HD11 ' CG ' ' A' ' 65' ' ' TYR . 12.7 mt -40.33 -37.33 0.65 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' LEU . 16.8 m -35.02 -41.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -93.9 165.78 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.5 m -82.33 112.57 19.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.546 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.8 m-85 -107.11 163.44 12.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 p -146.22 133.48 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 2.4 p90 -104.76 142.95 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.2 ptt180 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -126.87 167.15 16.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' ARG . 21.4 pttt -48.5 164.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.1 mmt85 -35.93 154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 77.8 m-20 64.29 39.57 7.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 79' ' ' ASN . 17.4 mm-40 -150.94 163.13 39.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -118.11 170.06 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.498 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 92.6 m95 -64.5 169.21 5.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.474 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 27.4 mtp180 -146.36 138.43 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -72.83 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.466 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 9.3 mt -87.76 154.28 20.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -97.93 140.88 31.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -76.91 145.03 38.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -147.88 142.63 26.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -153.03 116.57 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -108.17 -45.66 3.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -159.26 140.88 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 p -96.34 134.34 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 t -116.25 -60.11 1.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.55 166.62 33.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.19 9.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.9 m 45.44 41.87 7.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 t -70.25 -60.62 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.512 -179.991 . . . . . . . . 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 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 t -154.52 165.6 35.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -92.11 139.46 30.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.44 155.87 22.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 t -159.73 134.66 7.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -174.96 159.56 2.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.06 -161.19 20.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 8' ' ' LEU . 2.5 pp -146.06 140.75 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -154.64 159.9 41.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -107.7 171.06 7.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -129.28 -176.38 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.512 ' N ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -175.04 169.42 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -141.91 162.09 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.7 p -174.55 163.78 3.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -167.29 115.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -139.65 169.07 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 17' ' ' LEU . 2.4 pt? -159.35 133.5 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.972 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -115.79 134.17 59.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.98 144.12 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.46 148.93 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.61 170.25 9.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -137.1 172.31 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -122.29 43.04 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.628 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -124.74 112.71 17.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -55.3 106.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 24' ' ' GLU . 5.4 mp -81.0 -60.88 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.529 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . 17.3 m-20 -87.57 177.78 6.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -86.43 -69.91 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 27' ' ' ASP . 40.3 p-80 -35.25 108.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.612 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -88.36 -39.02 14.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.97 -117.4 0.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.79 ' O ' HD12 ' A' ' 42' ' ' ILE . 20.1 mt -144.34 139.25 15.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.153 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.1 Cg_endo -69.81 160.22 50.5 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.526 ' N ' HD11 ' A' ' 42' ' ' ILE . 17.3 t -68.01 152.67 45.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' HIS . 21.4 t-20 -94.82 -17.78 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -96.32 -73.45 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.6 p -74.21 -25.1 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 1.1 mmmp? 67.03 43.0 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 19.8 tt0 -81.97 122.01 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.65 128.08 7.37 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.8 167.64 70.44 Favored 'Cis proline' 0 C--O 1.232 0.206 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.33 0.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.79 HD12 ' O ' ' A' ' 32' ' ' ILE . 12.2 mt -94.2 88.65 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -49.55 -53.0 26.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -66.64 -175.99 7.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -55.75 172.62 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.719 0.295 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.2 m -120.34 104.5 10.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 7.6 m-85 -101.81 154.91 18.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.1 150.22 32.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.542 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 35.9 t -91.08 123.52 34.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 p -86.58 8.18 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -117.19 -26.38 6.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.4 m -95.89 -175.31 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.455 HG22 ' HG3' ' A' ' 54' ' ' GLU . 33.9 mm -118.19 134.31 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' HG3' HG22 ' A' ' 53' ' ' ILE . 13.9 mt-10 45.07 42.73 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.63 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 5.8 t80 -112.36 126.17 54.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' ASN . 20.8 m80 -144.23 134.7 24.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 ' SG ' ' A' ' 34' ' ' CYS . 15.1 mt -114.8 -179.12 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.5 p -126.06 154.51 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 8.1 tp60 -42.42 -37.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -61.32 -69.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.2 m -51.47 -34.3 34.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' HD21 ' A' ' 68' ' ' LEU . 27.7 t80 -60.55 -35.2 75.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.57 -29.09 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.4 t -76.71 -21.81 54.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.646 ' CD2' ' HB3' ' A' ' 89' ' ' ALA . 11.2 m-85 56.8 42.22 26.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.1 t -80.75 -62.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.63 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -73.59 -12.82 60.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.633 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' HIS . 24.2 m -46.67 -35.62 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -94.14 -179.61 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 m -87.2 104.65 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.5 m-85 -102.65 169.81 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.3 p -153.69 136.17 15.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 13.1 p90 -104.88 147.18 28.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 6.1 mtm180 -101.92 179.23 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -134.35 167.91 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 21.9 pttp -48.09 163.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 tpp85 -37.39 155.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' O ' ' OE1' ' A' ' 80' ' ' GLN . 57.5 t30 65.1 43.65 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 27.8 mm100 -147.96 -175.04 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 160.08 43.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.2 m95 -48.83 151.75 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 17.2 mtp85 -131.78 134.72 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 99.8 p -68.16 115.77 8.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.483 HD12 ' C ' ' A' ' 72' ' ' PHE . 9.7 mt -70.17 167.32 18.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' CG ' ' HD3' ' A' ' 88' ' ' ARG . 21.1 pt-20 -87.76 128.36 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 88' ' ' ARG . 10.8 mtpp -67.77 83.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.457 ' HD3' ' CG ' ' A' ' 86' ' ' GLU . 7.8 mpt_? -124.85 147.79 48.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.646 ' HB3' ' CD2' ' A' ' 65' ' ' TYR . . . 58.53 43.38 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.24 94.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -73.49 135.08 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.8 -17.05 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 95' ' ' PRO . 8.0 t -56.29 150.94 13.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -94.66 105.76 3.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 93' ' ' SER . 53.3 Cg_endo -69.75 -176.76 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.358 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 31.2 p -120.52 -56.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.7 p -134.75 173.12 12.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.484 -179.972 . . . . . . . . 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 -0.317 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -151.44 157.43 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -153.01 173.09 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.82 146.62 16.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -158.49 166.62 31.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.895 0.379 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -115.47 172.11 7.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 102.39 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' C ' HD23 ' A' ' 8' ' ' LEU . 6.8 tt -157.91 122.06 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' N ' HD23 ' A' ' 8' ' ' LEU . 15.1 mp0 -153.68 125.78 7.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -153.57 119.36 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.06 167.9 21.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -155.11 154.82 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -144.74 147.46 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -107.46 148.68 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.9 m -122.27 98.99 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 35.5 mttp -37.48 116.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.792 HD22 ' C ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -131.67 165.76 22.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' N ' HD22 ' A' ' 17' ' ' LEU . 100.0 t -126.57 90.03 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.07 140.74 42.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.56 121.33 44.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.54 163.96 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -118.35 145.51 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -84.67 168.61 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -54.71 -60.49 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 137.99 41.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 26' ' ' LEU . 4.4 pp -90.18 37.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -173.7 141.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -80.76 43.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -133.78 73.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 31' ' ' GLY . 55.9 mt -83.11 -42.1 17.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 31.27 -110.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.661 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.9 mt -142.2 138.81 17.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.653 0.739 . . . . 0.0 111.073 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.77 165.49 30.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.665 2.244 . . . . 0.0 112.342 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.642 ' N ' HD11 ' A' ' 42' ' ' ILE . 16.8 t -64.36 155.64 31.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.695 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 3.2 t30 -95.44 -13.4 24.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -103.51 -73.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 31.1 p -83.37 4.06 29.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 35.6 mmtt 42.27 31.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 30.6 tt0 -61.18 118.73 7.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -146.37 130.03 8.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.653 0.74 . . . . 0.0 110.865 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.1 Cg_endo -69.76 169.42 63.4 Favored 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.296 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 42' ' ' ILE . 20.5 mt -98.46 76.74 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -42.13 -54.37 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.89 -175.61 2.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -58.05 169.77 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.337 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.6 m -120.32 103.23 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.516 ' HD2' HD11 ' A' ' 85' ' ' LEU . 5.9 m-85 -97.15 152.58 18.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.953 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -141.23 133.07 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 20.7 t -76.95 127.02 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.3 p -90.94 7.0 42.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -115.59 -28.12 6.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.3 m -95.22 -174.47 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 37.3 mm -114.37 129.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 15.4 pt-20 45.56 41.73 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.695 ' CE2' ' ND2' ' A' ' 35' ' ' ASN . 4.6 t80 -105.34 126.84 52.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -141.85 134.19 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 72' ' ' PHE . 21.1 mt -115.72 172.53 7.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.5 p -116.32 147.49 41.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.5 tp60 -35.46 -35.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' CYS . 10.8 tt0 -65.19 -63.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 24.2 m -56.4 -27.47 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 27.5 t80 -70.51 -22.58 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.96 -22.06 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -78.02 -19.82 53.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.506 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 54.28 34.3 20.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.38 -48.94 10.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.653 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.8 t60 -85.48 -11.43 54.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -42.18 -22.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -49.79 -20.88 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.69 149.15 38.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.6 m -68.57 106.82 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -95.33 179.47 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 84' ' ' SER . 8.5 p -151.78 129.12 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 30.6 p90 -104.68 157.73 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.591 ' HG2' ' CE3' ' A' ' 82' ' ' TRP . 3.2 mmm180 -101.19 172.06 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -125.83 166.78 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' ARG . 4.2 ptpp? -49.25 163.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.9 mmm180 -37.22 156.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 62.42 35.41 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -145.26 168.31 20.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.19 173.53 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.591 ' CE3' ' HG2' ' A' ' 75' ' ' ARG . 94.8 m95 -51.16 174.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.585 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 1.4 mmp_? -140.88 135.51 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 73' ' ' THR . 60.2 p -83.72 104.93 14.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 52.2 mt -63.6 154.51 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -104.44 156.53 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt -58.16 108.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -134.62 115.13 13.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.98 117.28 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.67 40.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.78 177.56 4.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.64 125.72 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.1 p -94.56 142.43 27.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -91.43 133.66 11.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -32.27 19.08 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.383 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.6 p -132.55 144.01 50.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.7 m -95.62 100.93 12.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.485 -179.968 . . . . . . . . 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 -0.334 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -164.19 165.63 21.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.36 . . . . 0.0 110.839 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -131.66 -44.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.74 -145.06 15.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -172.76 151.12 2.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 m -131.26 140.72 49.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.3 -145.2 8.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.66 140.47 51.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -161.72 124.07 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -149.83 140.57 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -114.61 149.11 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -153.71 155.81 36.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -83.7 173.61 11.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 m -166.0 137.6 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -174.46 153.49 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.4 mmtt -118.95 91.17 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.81 73.02 7.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.9 m -129.53 131.06 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.81 165.07 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.03 174.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.24 119.36 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' C ' ' HD2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -161.35 133.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -144.07 156.2 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -148.46 146.98 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -61.67 98.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 26' ' ' LEU . 3.2 pp -119.57 44.25 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -156.87 131.84 8.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -56.87 -39.97 75.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -65.26 92.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt -90.93 -41.92 10.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.28 -114.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.602 ' O ' HD12 ' A' ' 42' ' ' ILE . 17.3 mt -142.35 137.98 16.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.79 169.79 18.13 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.676 2.251 . . . . 0.0 112.317 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 38' ' ' LYS . 12.7 t -84.54 156.34 21.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.619 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.0 m-80 -96.44 -30.43 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -83.69 -75.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.3 p -72.33 -28.51 63.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 13.8 mmmt 68.56 42.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 20.2 tt0 -80.48 121.5 25.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.2 t80 -147.07 123.58 5.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.729 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.4 Cg_endo -69.8 165.88 75.6 Favored 'Cis proline' 0 C--O 1.232 0.21 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.319 0.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 32' ' ' ILE . 16.9 mt -92.28 107.82 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -61.58 -57.26 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.38 -169.75 3.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -58.35 175.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -121.15 93.63 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 16.7 m-85 -84.18 147.82 27.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -141.14 136.43 31.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.3 t -85.42 124.14 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 p -86.98 5.64 36.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -116.59 -24.6 7.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 12.4 m -98.62 -179.57 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.0 138.92 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 39.6 42.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.785 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 21.7 t80 -117.28 131.63 56.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.619 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.6 m80 -149.12 136.51 20.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 61' ' ' CYS . 15.8 mt -113.81 162.69 16.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.4 p -109.58 148.02 32.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' CYS . 24.0 tp60 -33.47 -43.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -62.78 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.505 ' HB3' HD22 ' A' ' 57' ' ' LEU . 21.0 m -54.14 -32.98 56.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 14.7 t80 -58.5 -42.11 86.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -24.95 7.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.2 m -59.87 -35.21 74.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.624 ' CG ' HD11 ' A' ' 68' ' ' LEU . 3.7 m-85 62.2 54.93 2.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.906 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.5 m -118.97 -65.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.785 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -58.22 -11.46 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.624 HD11 ' CG ' ' A' ' 65' ' ' TYR . 31.9 mt -41.13 -36.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LEU . 46.5 m -35.99 -36.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -98.36 164.9 12.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.3 m -79.6 108.14 12.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 5.4 m-85 -105.25 166.51 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 p -152.75 141.99 21.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 2.4 p90 -105.03 140.33 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.61 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -105.11 144.09 32.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -85.3 167.22 15.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' ARG . 19.4 pttm -48.67 164.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 18.6 mmt85 -37.3 157.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 63.42 36.64 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.8 -176.63 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -133.33 163.08 30.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.61 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 75.1 m95 -50.75 169.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 8.4 mmm180 -141.72 153.2 44.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p -92.56 105.92 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.591 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 9.1 mt -56.85 153.92 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -83.55 124.36 30.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -47.06 131.92 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -150.26 144.02 25.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.59 -59.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -152.41 159.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.94 -57.7 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.8 155.67 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 p -43.77 124.56 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 152.88 109.49 0.4 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.18 4.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.346 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -91.54 94.85 9.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -84.89 -59.28 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.476 -179.971 . . . . . . . . 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 -0.341 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -113.92 101.4 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -34.96 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.17 99.52 0.64 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -116.76 161.72 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 t -169.7 113.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.75 125.77 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.2 tp -74.25 129.85 38.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -98.29 44.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -125.37 105.64 9.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -84.23 78.85 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.69 112.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -79.17 94.45 5.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.8 p -85.45 127.46 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.9 p -131.89 40.44 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.45 43.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.6 pt? -143.79 132.24 22.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.48 140.65 22.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.7 103.74 11.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.53 177.45 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.31 103.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -135.29 152.22 51.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -128.27 -30.41 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -76.8 134.91 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.55 ' CD ' HD21 ' A' ' 30' ' ' LEU . 4.6 tmm_? -61.84 124.59 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.04 178.84 5.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.97 93.92 3.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -156.03 174.09 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.21 94.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.55 HD21 ' CD ' ' A' ' 25' ' ' ARG . 20.7 mt -67.09 -42.0 85.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 33.45 -111.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.686 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.4 mt -144.17 139.5 15.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.8 Cg_endo -69.7 165.32 31.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.344 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.51 ' N ' HD11 ' A' ' 42' ' ' ILE . 16.4 t -75.56 152.31 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.614 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.4 m-80 -95.47 -21.35 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -91.04 -74.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.5 p -74.2 -27.18 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 4.2 mmmm 68.81 43.48 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 16.9 tt0 -83.72 122.63 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.3 t80 -147.0 126.67 6.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.694 0.759 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 168.56 66.95 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.352 -0.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 32' ' ' ILE . 26.5 mt -95.49 83.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 44' ' ' GLY . 11.2 pt-20 -43.53 -46.9 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -71.21 175.94 38.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -52.21 -177.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.474 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 96.8 m -120.23 139.39 52.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.643 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 2.0 m-85 -136.56 149.86 48.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.3 ptmm? -145.15 148.87 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.1 t -90.56 117.19 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.8 p -80.59 10.31 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -120.05 -28.51 5.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 22.0 m -96.18 -174.73 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -119.22 138.18 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 42.03 54.49 4.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 8.0 t80 -127.28 132.95 50.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.614 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 14.8 m80 -149.29 135.67 19.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -112.62 178.44 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLU . 29.7 p -124.15 145.4 49.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' CYS . 27.2 tp60 -34.1 -36.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -62.8 -69.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.5 m -51.37 -28.36 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.943 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 23.3 t80 -65.01 -30.28 71.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -28.63 69.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.5 m -80.6 -16.09 54.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 7.6 m-85 51.12 47.29 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.22 -63.8 1.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.648 ' ND1' ' CE2' ' A' ' 55' ' ' TYR . 1.8 t60 -76.71 -12.17 59.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 1.2 mm? -42.06 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' HIS . 69.2 m -47.1 -26.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -104.02 178.13 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.1 m -85.47 102.09 13.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.4 m-85 -101.54 165.77 11.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -145.44 132.16 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 2.8 p90 -105.11 146.01 29.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 8.0 ptt180 -111.51 -179.98 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.6 mm-40 -131.77 169.71 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.405 ' HD2' ' O ' ' A' ' 78' ' ' ARG . 1.9 pptp? -46.55 163.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.5 tpt180 -39.12 158.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 63.0 t30 67.78 28.47 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.503 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 26.6 mm100 -136.41 -174.97 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -146.42 152.24 38.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 87.8 m95 -47.44 163.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 6.9 mtp85 -143.4 141.32 30.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.8 m -79.42 103.67 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.943 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 8.9 mt -60.32 148.91 35.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -62.53 134.76 56.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm -57.14 122.2 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -47.22 159.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -123.41 104.08 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -155.29 155.46 33.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -69.44 115.59 8.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.6 145.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 p -79.42 -56.58 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.57 77.96 1.16 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 95.18 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 60.54 42.0 14.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.5 p -65.02 90.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.47 179.982 . . . . . . . . 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 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p 44.24 42.26 4.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -49.66 167.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.86 107.42 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 p -98.55 144.87 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -51.57 97.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.53 153.03 52.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.53 129.97 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.23 141.78 29.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -94.41 136.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -138.76 170.33 16.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -109.4 172.39 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -143.39 177.57 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 p -107.59 161.74 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -56.52 95.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -138.72 107.96 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.48 86.07 2.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.67 141.86 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -171.68 169.47 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.4 173.27 7.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 87.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -125.25 119.36 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.83 -26.23 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 23' ' ' LYS . 17.0 mt-10 -77.06 117.12 18.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -45.95 119.08 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -41.83 106.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.41 46.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -113.03 -61.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 36.9 p-80 -133.72 70.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' GLY . 84.3 mt -76.93 -42.05 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.12 -112.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.717 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.7 mt -143.82 139.56 16.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.8 Cg_endo -69.79 158.06 58.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.636 ' N ' HD11 ' A' ' 42' ' ' ILE . 13.4 t -65.42 146.04 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -94.4 -5.42 46.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.574 ' HB2' HD21 ' A' ' 57' ' ' LEU . 12.4 t30 -104.33 -71.94 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 22.1 p -80.07 -20.76 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 34.4 mmtm 66.74 42.7 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 13.0 tt0 -83.66 119.92 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -145.79 127.66 7.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.7 Cg_endo -69.79 164.86 78.22 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 -1.809 . . . . 0.0 112.34 0.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 42' ' ' ILE . 23.4 mt -91.37 82.98 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -42.53 -50.26 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -69.77 -174.65 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HZ3' ' HA ' ' A' ' 76' ' ' GLU . 9.4 mmtt -60.05 170.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 92.7 m -115.22 111.64 21.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 1.8 m-85 -100.54 154.32 18.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 12.6 ttpt -144.51 133.95 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 44.5 t -81.6 124.73 29.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 71' ' ' THR . 10.4 p -88.34 11.76 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.5 -26.72 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 67.4 m -98.57 -174.61 2.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.4 mm -118.03 130.09 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 50.43 38.86 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.607 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 4.9 t80 -107.58 130.39 54.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.556 ' NE2' HD13 ' A' ' 32' ' ' ILE . 4.1 m80 -147.03 132.58 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 36' ' ' ASN . 13.4 mt -113.87 166.07 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 60' ' ' GLU . 27.5 p -110.94 147.81 33.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.0 tp60 -35.69 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' CYS . 9.3 tt0 -68.44 -68.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.405 ' CB ' HD22 ' A' ' 57' ' ' LEU . 51.8 m -50.99 -26.54 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.809 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 16.1 t80 -69.67 -29.96 67.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -60.82 -27.04 67.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 p -73.11 -17.97 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.497 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 13.4 m-85 51.55 39.81 25.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 t -87.11 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t60 -71.0 -11.42 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 65' ' ' TYR . 0.5 OUTLIER -41.78 -24.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.9 OUTLIER -47.26 -26.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -109.86 150.24 28.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.464 ' O ' HG23 ' A' ' 50' ' ' THR . 8.8 m -66.58 101.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.477 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 3.2 m-85 -92.55 170.9 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -146.12 137.83 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.655 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 14.9 p90 -104.85 157.84 16.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.619 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -121.11 135.61 55.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.844 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.555 ' HA ' ' HZ3' ' A' ' 45' ' ' LYS . 37.3 mt-10 -81.86 166.8 19.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 22.4 pttm -49.16 164.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' LYS . 16.0 mmt85 -37.63 155.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 67.33 33.65 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' LYS . 72.4 mm-40 -144.75 171.95 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' H ' ' NH2' ' A' ' 83' ' ' ARG . 19.1 mttp -124.45 170.88 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 21.3 m95 -69.64 170.92 9.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.655 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 5.7 ptp180 -175.4 140.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -46.81 164.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.809 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 8.1 mt -104.25 166.21 10.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -73.44 118.95 17.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.51 131.37 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -151.95 168.63 24.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.66 132.93 36.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.83 105.61 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -111.26 129.19 56.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 92' ' ' VAL . 27.6 m -96.9 41.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.6 m -118.07 138.27 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.64 141.61 3.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.529 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.55 4.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.354 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.0 p -139.77 118.63 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.0 m -164.98 148.09 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.449 -179.945 . . . . . . . . 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 1.452 -0.246 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -134.92 162.58 32.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -115.25 162.85 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.814 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.43 -168.71 11.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -166.33 161.39 16.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 174.94 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.54 173.42 21.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -135.57 165.04 26.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.84 157.9 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 139.63 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.23 132.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.93 141.14 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -167.39 118.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -93.74 163.14 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.454 ' HB3' HD11 ' A' ' 17' ' ' LEU . 70.6 m -87.84 151.43 22.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -112.29 108.28 17.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 15' ' ' SER . 4.9 mp -147.19 137.46 23.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.53 127.94 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.08 116.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.61 84.6 7.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.4 147.47 26.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -57.28 155.47 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -134.34 109.78 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -123.53 172.89 8.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.614 ' HG2' HD22 ' A' ' 30' ' ' LEU . 29.0 mtt180 -80.91 132.14 35.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -101.73 130.04 48.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 26' ' ' LEU . 6.0 m-20 -32.32 -49.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 29' ' ' HIS . 64.9 mttt -46.92 173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 18.9 t60 -33.27 126.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD22 ' HG2' ' A' ' 25' ' ' ARG . 59.8 mt -117.42 -42.28 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 31.47 -106.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.598 HG23 ' HD2' ' A' ' 33' ' ' PRO . 12.8 mt -142.41 138.48 16.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.77 166.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.635 ' SG ' HD23 ' A' ' 57' ' ' LEU . 10.1 t -79.61 152.91 29.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -96.74 -28.6 14.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.654 ' HB2' HD21 ' A' ' 57' ' ' LEU . 3.0 t30 -83.26 -75.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.8 p -72.53 -28.54 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 16.8 mmmt 69.71 41.82 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 65.5 tt0 -82.35 121.04 26.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -147.06 124.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 110.854 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.7 168.55 66.84 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.383 -0.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 32' ' ' ILE . 36.7 mt -94.66 136.0 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -92.8 -47.84 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.81 178.3 20.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.533 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -51.69 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.293 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.86 108.36 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -109.08 145.28 35.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HD2' ' CH2' ' A' ' 82' ' ' TRP . 9.2 ptmt -150.05 131.54 14.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 16.0 t -73.51 129.2 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 p -90.02 2.98 54.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -112.74 -31.48 6.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.3 m -88.92 -174.78 4.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mm -115.34 134.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 42.44 43.1 2.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.657 ' CZ ' ' CE1' ' A' ' 67' ' ' HIS . 4.2 t80 -105.48 128.68 53.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.494 ' CD2' HD13 ' A' ' 32' ' ' ILE . 5.8 m80 -146.26 129.14 16.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 36' ' ' ASN . 14.1 mt -116.98 167.37 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.2 p -111.65 142.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' CYS . 21.7 tp60 -33.82 -40.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -59.25 -58.82 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' CB ' HD22 ' A' ' 57' ' ' LEU . 8.2 m -58.22 -41.55 84.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 24.9 t80 -49.78 -45.72 50.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 2.9 t0 -51.72 -23.78 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 m -61.24 -31.83 71.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.912 ' HA ' HD13 ' A' ' 68' ' ' LEU . 4.3 m-85 63.73 51.07 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 73.8 m -112.83 -56.14 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.657 ' CE1' ' CZ ' ' A' ' 55' ' ' TYR . 1.8 t-160 -83.14 -13.24 55.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.912 HD13 ' HA ' ' A' ' 65' ' ' TYR . 7.7 mp -42.43 -33.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -38.4 -44.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -83.28 162.29 21.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.5 m -75.3 108.38 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 4.5 m-85 -106.18 160.75 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 p -135.96 127.2 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 11.1 p90 -105.16 144.52 31.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.594 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 7.2 mtm180 -101.26 -179.84 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.829 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -132.72 167.82 19.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 21.0 pttp -48.13 164.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mmt180 -37.08 155.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 63.9 46.77 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 13.5 mm-40 -150.0 -176.61 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -146.64 155.59 42.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 95.9 m95 -43.32 161.3 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 22.7 mtp85 -140.73 127.13 19.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.5 m -66.03 118.82 10.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 72' ' ' PHE . 22.3 mt -74.24 146.36 43.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -86.29 142.52 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.0 tttp -58.93 105.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.53 146.3 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -67.05 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -69.72 165.22 21.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 92' ' ' VAL . 12.6 tm-20 -97.55 129.41 44.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 91' ' ' GLU . 10.4 p -33.32 135.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.9 t -117.3 159.14 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 95' ' ' PRO . . . -40.62 103.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.504 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 94' ' ' GLY . 54.3 Cg_endo -69.75 143.86 52.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.38 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.2 p -106.99 129.51 54.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.2 t -63.68 -50.46 69.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.805 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.507 -179.926 . . . . . . . . 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 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -133.31 -49.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -104.19 117.88 35.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.63 -169.03 11.58 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -154.97 173.84 15.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -45.52 151.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.31 107.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -92.54 155.1 18.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.03 85.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -94.43 -44.71 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.48 155.49 33.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -110.31 128.57 55.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -135.32 121.15 19.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.0 m -122.43 101.92 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -77.51 173.68 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -115.39 167.54 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.94 175.85 5.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.6 t -104.4 119.06 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.13 145.02 8.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.48 169.36 19.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.29 42.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -95.14 -41.51 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -58.62 155.58 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -52.67 162.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' HG2' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -43.49 162.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 27' ' ' ASP . 3.5 pp -68.64 -32.88 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.551 ' HB2' HD12 ' A' ' 26' ' ' LEU . 26.2 t0 -130.94 128.62 40.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.08 -27.13 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -57.51 83.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.567 HD21 ' HG2' ' A' ' 25' ' ' ARG . 12.2 mt -104.93 -42.19 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 32.85 -102.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 33' ' ' PRO . 17.7 mt -143.48 138.92 15.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.77 165.74 29.97 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.361 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.57 ' N ' HD11 ' A' ' 42' ' ' ILE . 23.1 t -69.8 156.63 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -96.99 -18.44 19.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.92 -74.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 30.2 p -83.31 4.24 27.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 23.4 mmtm 43.29 28.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 57.9 tt0 -57.09 117.73 4.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.89 129.38 7.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.73 169.27 64.05 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.313 0.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' ILE . 23.8 mt -97.11 75.17 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -40.67 -57.32 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.488 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -61.93 173.89 7.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -47.16 169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -120.47 122.52 40.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HD2' HD11 ' A' ' 85' ' ' LEU . 2.6 m-85 -119.86 153.49 35.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.522 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 8.0 ptmm? -147.19 144.23 28.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 38.5 t -82.98 127.09 33.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.9 p -92.38 10.57 29.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -118.83 -27.08 5.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.04 -175.02 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.505 HG22 ' HG3' ' A' ' 54' ' ' GLU . 41.9 mm -116.73 132.22 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' HG3' HG22 ' A' ' 53' ' ' ILE . 32.7 mt-10 45.05 51.82 8.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -120.63 132.4 55.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.585 ' NE2' HD13 ' A' ' 32' ' ' ILE . 31.3 m80 -147.82 140.82 24.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD12 ' CE2' ' A' ' 72' ' ' PHE . 14.9 mt -121.27 175.7 6.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.5 p -121.74 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.4 tp60 -36.56 -41.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.55 -67.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.8 m -50.68 -31.21 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.686 ' CE1' HD21 ' A' ' 68' ' ' LEU . 30.8 t80 -66.11 -33.88 76.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.53 -25.65 38.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -81.87 -16.09 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 12.2 m-85 48.41 45.16 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.3 t -83.15 -62.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.3 t60 -73.68 -12.23 60.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.686 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -42.0 -23.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' HIS . 61.6 m -44.35 -27.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -103.69 175.67 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 m -81.84 108.05 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.4 m-85 -106.76 168.7 9.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 p -147.45 131.59 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.605 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 8.8 p90 -104.87 144.05 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.581 ' HG3' ' CE3' ' A' ' 82' ' ' TRP . 9.1 mtt180 -101.59 177.76 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -132.05 168.71 17.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -46.86 163.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 22.6 tpt85 -39.67 152.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 47.4 t30 70.46 34.18 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 21.4 mm100 -140.8 -175.09 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 82' ' ' TRP . 23.8 mmmt -145.38 159.9 42.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.581 ' CE3' ' HG3' ' A' ' 75' ' ' ARG . 96.4 m95 -43.94 168.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.605 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 7.8 mmt85 -140.75 145.04 35.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.7 m -85.72 110.91 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 10.5 mt -76.86 154.71 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.28 130.29 55.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -51.87 95.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.42 127.55 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.1 111.81 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -96.77 87.43 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -126.86 92.0 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -106.22 111.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.8 p -138.52 159.56 41.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 121.63 82.76 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 177.05 6.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -51.97 -61.4 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 p -74.2 160.59 30.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.495 179.977 . . . . . . . . 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 -0.294 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -140.82 172.26 12.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -110.43 154.54 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.32 -143.16 6.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -149.0 154.94 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -144.3 147.87 34.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.27 -150.16 12.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.26 156.37 20.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -158.15 116.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -133.32 174.92 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 151.6 37.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -60.65 113.33 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -49.15 145.72 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.6 m -76.35 175.46 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -88.46 -49.89 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? 60.17 41.57 16.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.6 mt -90.1 89.91 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.8 t -151.25 141.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.68 120.33 25.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.04 120.15 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' GLU . . . -173.06 158.63 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mt-10 -36.41 110.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -148.06 145.87 28.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' ARG . 43.9 mm-40 -107.38 165.02 11.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 14.0 ttp-105 -35.87 109.51 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' H ' HD23 ' A' ' 26' ' ' LEU . 2.5 pt? -132.79 -38.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -81.17 166.8 20.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -89.52 39.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 75.5 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.618 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.0 mm? -84.55 -43.07 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.618 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 15.92 -113.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.593 HG23 ' HD2' ' A' ' 33' ' ' PRO . 21.1 mt -142.79 137.76 15.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.64 0.733 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.72 154.45 67.9 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' N ' HD11 ' A' ' 42' ' ' ILE . 8.4 t -67.48 149.34 50.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' CE2' ' A' ' 55' ' ' TYR . 4.3 t30 -95.56 -15.74 22.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.566 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.2 t30 -95.12 -73.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 18.1 p -77.08 -24.6 51.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 39.0 mmtt 70.09 40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 24.0 tt0 -81.54 118.28 22.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.8 t80 -146.6 127.24 7.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 168.31 67.95 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.341 -0.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.591 HD11 ' N ' ' A' ' 34' ' ' CYS . 29.6 mt -99.41 102.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.87 -39.77 95.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.63 -176.34 39.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -55.67 175.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 54.1 t -120.73 100.23 6.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -94.5 152.49 18.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HE2' ' CD2' ' A' ' 56' ' ' HIS . 32.0 ttmt -146.81 140.46 25.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 t -87.82 131.19 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -91.08 3.64 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -114.44 -25.89 8.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 m -95.84 -175.02 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.1 mm -116.08 134.18 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 41.66 41.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.672 ' CE1' ' CE1' ' A' ' 67' ' ' HIS . 5.4 t80 -104.54 132.16 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.532 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 1.9 m80 -149.33 129.21 13.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 36' ' ' ASN . 16.9 mt -112.49 154.72 25.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' GLN . 28.1 p -99.6 148.55 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.1 tp60 -35.95 -41.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -59.18 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.417 ' HB3' HD22 ' A' ' 57' ' ' LEU . 5.7 m -56.11 -42.87 77.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.634 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 18.8 t80 -51.88 -39.56 59.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -53.06 -27.13 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 p -61.48 -30.2 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CD2' HD11 ' A' ' 68' ' ' LEU . 4.0 m-85 58.3 55.06 5.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 95.9 m -115.26 -61.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.672 ' CE1' ' CE1' ' A' ' 55' ' ' TYR . 1.7 t-160 -61.48 -10.35 7.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.595 HD11 ' CD2' ' A' ' 65' ' ' TYR . 9.9 mt -40.3 -34.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' LEU . 24.3 m -37.07 -43.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -93.33 168.36 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.2 m -84.47 111.63 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.542 ' CE1' ' CD2' ' A' ' 67' ' ' HIS . 4.2 m-85 -104.91 167.3 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -150.62 138.74 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 83' ' ' ARG . 5.4 p90 -104.78 149.21 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 1.4 ptp85 -109.23 -179.29 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.524 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.2 mt-10 -134.13 168.69 18.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 1.8 mtmp? -47.6 164.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 77' ' ' LYS . 10.9 mpt_? -37.05 156.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 64.37 42.23 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.524 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 28.4 mm-40 -146.33 -179.21 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -145.39 153.22 40.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.425 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 55.8 m95 -46.24 173.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.586 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -172.8 136.41 0.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -56.11 154.12 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 9.4 mt -101.03 163.03 12.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.94 122.47 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -49.32 169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -71.33 112.31 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.18 83.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -168.54 132.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.59 -55.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.52 138.52 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.9 m -123.25 97.37 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.91 -86.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 106.34 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.0 p -141.14 110.26 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 54.2 p -171.95 143.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.496 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -151.23 175.97 11.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -106.28 121.74 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.2 -157.9 12.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -111.26 173.46 6.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -135.71 155.27 50.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.09 155.63 38.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.25 109.87 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -149.57 176.51 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -115.42 135.68 53.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -52.4 141.55 19.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -100.84 120.87 40.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -122.66 130.15 52.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -143.73 113.25 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -151.53 164.3 37.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.3 pp -139.16 134.19 32.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 19' ' ' ALA . 91.7 t -130.51 113.49 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 18' ' ' VAL . . . -34.27 145.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.24 168.82 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.61 169.29 11.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -156.48 151.89 26.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.81 142.55 31.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -90.72 144.57 25.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.585 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 mpp_? -103.22 41.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD12 ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER 36.57 27.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 25' ' ' ARG . 4.0 p-10 29.66 50.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 15.8 tptp -125.71 -64.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.502 ' CE1' HH21 ' A' ' 75' ' ' ARG . 69.2 t60 -118.79 80.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 31' ' ' GLY . 4.1 mt -77.31 -42.85 35.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 29.31 -119.64 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.442 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.704 ' O ' HD12 ' A' ' 42' ' ' ILE . 22.1 mt -145.33 138.36 14.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.678 0.752 . . . . 0.0 111.134 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.9 Cg_endo -69.68 155.31 66.52 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.496 ' SG ' HD23 ' A' ' 57' ' ' LEU . 13.0 t -69.71 153.99 42.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -95.93 -27.4 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -86.14 -74.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 13.1 p -71.94 -28.96 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 22.1 mmtp 68.66 46.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.3 tt0 -87.67 121.13 29.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.516 ' CG ' ' HB3' ' A' ' 33' ' ' PRO . 1.4 t80 -146.7 126.29 6.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.707 0.765 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 53.5 Cg_endo -69.82 167.19 72.08 Favored 'Cis proline' 0 C--N 1.342 0.211 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.32 0.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 32' ' ' ILE . 44.6 mt -93.69 109.24 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.77 -57.52 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.28 -179.38 5.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtm -54.95 -179.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -119.5 125.76 49.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 2.2 m-85 -123.48 152.12 42.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 17.1 pttt -152.32 145.17 24.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 49.4 t -83.38 120.13 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 p -81.14 7.56 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -114.3 -31.65 6.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 64.4 m -95.02 -174.53 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.1 mm -122.26 133.27 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 51.83 48.0 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 7.9 t80 -125.41 105.97 9.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.485 ' CD2' HD13 ' A' ' 32' ' ' ILE . 7.1 m80 -130.01 132.66 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.81 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD23 ' SG ' ' A' ' 34' ' ' CYS . 54.7 mt -113.23 -178.77 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 59' ' ' GLN . 27.9 p -120.25 147.17 45.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.494 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 18.1 tp60 -34.38 -41.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -58.48 -69.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.7 m -47.69 -44.32 27.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 13.4 t80 -48.65 -39.12 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -54.42 -34.07 60.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.9 t -63.53 -23.46 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.614 ' CG ' HD13 ' A' ' 68' ' ' LEU . 5.5 m-85 61.37 31.23 19.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.98 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 52.4 t -72.01 -75.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.409 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.3 t60 -76.73 -12.91 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD13 ' CG ' ' A' ' 65' ' ' TYR . 4.5 tt -42.39 -25.4 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.4 m -43.36 -43.66 5.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -82.26 166.22 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.4 m -70.0 112.92 6.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.0 m-85 -111.03 163.47 13.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 84' ' ' SER . 17.3 p -146.3 133.58 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 83' ' ' ARG . 5.6 p90 -104.7 152.59 22.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.586 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 11.6 ptt180 -115.15 176.39 5.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 19.6 mt-10 -126.08 169.32 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 16.8 mttp -46.77 163.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 11.8 tpp180 -37.73 158.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 3.3 m-20 63.24 39.8 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.513 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 7.0 mm-40 -143.26 -175.2 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -143.84 151.02 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 73.2 m95 -47.74 162.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.531 ' HB2' ' CE2' ' A' ' 74' ' ' PHE . 13.5 mtp180 -142.21 132.05 24.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.445 ' HA ' HG22 ' A' ' 73' ' ' THR . 70.3 m -68.1 123.26 20.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.537 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 7.4 mt -80.59 168.33 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -88.89 143.48 26.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -72.17 169.52 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 89' ' ' ALA . 14.5 mmm180 -45.36 145.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 88' ' ' ARG . . . -35.11 -49.42 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -128.53 144.08 51.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.43 145.05 34.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.0 m -79.3 138.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.1 t -130.55 159.27 37.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.47 169.6 34.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 99.57 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.705 2.27 . . . . 0.0 112.286 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.9 m 62.8 43.63 6.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.1 t -80.67 95.08 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.491 -179.982 . . . . . . . . 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 1.452 -0.296 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.9 p 38.79 42.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -105.27 139.37 40.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.92 -171.49 43.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -124.21 173.85 8.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -155.81 164.96 37.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.09 148.18 5.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.59 143.06 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -93.87 149.62 21.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -87.47 163.62 16.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -116.4 176.54 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -153.83 152.19 30.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -171.97 142.19 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 m -161.47 154.77 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.2 p -159.68 147.98 17.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.36 168.87 18.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 tp -94.85 143.72 26.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.11 143.98 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.52 151.48 50.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.91 170.79 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.64 46.41 17.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.72 32.44 5.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -146.04 146.92 31.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.1 mm-40 -76.9 177.67 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HG2' ' CD1' ' A' ' 30' ' ' LEU . 10.0 mtm105 -35.24 101.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.725 ' H ' HD23 ' A' ' 26' ' ' LEU . 1.8 pt? -104.48 -36.54 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.501 ' OD2' ' CG ' ' A' ' 41' ' ' PRO . 4.8 p30 -76.52 -175.92 3.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -106.44 -35.34 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 29' ' ' HIS . 45.2 p-80 -82.25 77.57 9.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 3.7 mm? -90.86 -41.76 11.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.95 -104.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 33' ' ' PRO . 17.8 mt -141.46 140.14 20.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.578 0.704 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.0 Cg_endo -69.85 169.94 17.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.332 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' HD23 ' A' ' 57' ' ' LEU . 12.2 t -81.88 154.43 25.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 56' ' ' HIS . 2.4 m-80 -96.72 -28.73 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' A' ' 57' ' ' LEU . 23.1 t30 -83.61 -74.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 14.5 p -73.37 -28.45 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 18.2 mmmt 68.71 43.43 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' NE2' ' OE2' ' A' ' 43' ' ' GLU . 11.8 tt0 -82.9 119.53 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.6 t80 -146.68 127.52 7.13 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.501 ' CG ' ' OD2' ' A' ' 27' ' ' ASP . 53.5 Cg_endo -69.82 164.6 78.98 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.293 0.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 32' ' ' ILE . 18.1 mt -91.6 124.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HG2' ' N ' ' A' ' 44' ' ' GLY . 3.2 pm0 -89.08 -32.63 17.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 43' ' ' GLU . . . -85.22 173.1 48.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -46.78 167.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 75' ' ' ARG . 42.8 t -114.69 111.19 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HD2' HD11 ' A' ' 85' ' ' LEU . 40.2 m-85 -109.26 152.84 24.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 23.2 tttm -142.75 141.87 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 33.9 t -84.2 117.79 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 p -81.38 2.81 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.39 -25.34 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 21.7 m -100.34 -175.05 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.0 mt -120.41 137.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 45.2 54.98 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -127.19 133.96 50.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.544 ' NE2' HD13 ' A' ' 32' ' ' ILE . 14.1 m80 -149.61 135.81 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD23 ' SG ' ' A' ' 34' ' ' CYS . 16.3 mt -118.72 166.25 13.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' GLN . 25.7 p -112.64 150.45 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' CYS . 10.1 tp60 -37.35 -42.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -57.54 -64.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -54.42 -36.22 63.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 85' ' ' LEU . 23.4 t80 -60.34 -32.56 71.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.68 -28.83 61.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -77.65 -25.21 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 68' ' ' LEU . 16.1 m-85 57.83 44.18 20.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.3 t -81.38 -65.79 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' SER . 2.0 t60 -72.17 -12.04 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -41.46 -24.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' HIS . 48.6 m -45.09 -30.89 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -99.55 172.33 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.6 m -80.06 101.99 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 3.6 m-85 -99.7 169.81 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -153.76 138.78 17.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.155 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 19.4 p90 -104.67 146.09 29.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.599 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -100.71 179.94 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 75' ' ' ARG . 49.3 mt-10 -132.97 166.81 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.41 162.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -38.46 155.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 65.88 35.8 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -145.17 173.44 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.23 158.04 41.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.599 ' CE3' ' HB3' ' A' ' 75' ' ' ARG . 70.6 m95 -47.76 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 74' ' ' PHE . 26.4 mtp180 -147.79 144.19 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 t -76.96 145.62 38.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 9.1 mt -104.2 148.97 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.27 158.9 20.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.54 156.22 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -66.96 151.47 47.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 98.74 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 143.21 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.56 -53.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.528 HG22 ' H ' ' A' ' 94' ' ' GLY . 6.9 p -73.43 138.11 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -112.52 43.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.528 ' H ' HG22 ' A' ' 92' ' ' VAL . . . 49.71 83.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.44 ' HD3' ' CG2' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.82 169.56 18.71 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -97.13 136.42 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -69.64 -46.05 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.468 179.969 . . . . . . . . 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 1.451 -0.336 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -170.47 174.82 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.906 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -160.93 175.36 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.77 -162.53 9.57 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -172.46 177.6 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -170.58 173.45 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -159.5 172.72 36.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 7' ' ' GLY . 55.8 mt -155.22 177.37 11.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -143.16 177.2 8.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.12 167.33 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -151.23 175.32 12.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -160.9 167.48 26.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -165.19 162.34 19.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 15' ' ' SER . 5.4 p -123.05 -20.27 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 14' ' ' SER . 18.7 m 35.25 51.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -45.21 138.59 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt -53.72 177.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 19' ' ' ALA . 11.1 p -83.55 161.48 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' N ' HG22 ' A' ' 18' ' ' VAL . . . -98.99 179.19 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.32 172.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.19 151.65 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.76 179.0 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -52.52 150.51 4.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' O ' HD22 ' A' ' 26' ' ' LEU . 10.2 pt-20 -158.92 -179.97 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.593 ' HG3' HD21 ' A' ' 30' ' ' LEU . 11.4 ttp-105 -38.32 151.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 24' ' ' GLU . 3.7 mm? -111.69 -72.91 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' O ' ' C ' ' A' ' 28' ' ' LYS . 19.9 t70 -132.11 81.9 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 25.3 48.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 27' ' ' ASP . 53.7 t60 -121.33 57.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD21 ' HG3' ' A' ' 25' ' ' ARG . 2.3 mm? -77.83 -42.02 35.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 30.7 -112.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 33' ' ' PRO . 21.4 mt -143.25 138.49 15.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.76 165.25 31.61 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.492 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.6 t -73.29 150.97 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -95.7 -13.24 24.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.457 ' O ' ' CD ' ' A' ' 38' ' ' LYS . 11.7 t30 -98.31 -73.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 25.1 p -78.29 -18.51 55.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 36' ' ' ASN . 1.4 mptp? 62.61 40.45 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.407 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 17.0 tt0 -78.79 119.93 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.28 126.18 6.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.63 0.728 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.0 Cg_endo -69.74 164.64 78.67 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.386 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 32' ' ' ILE . 22.1 mt -89.66 93.1 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.61 -57.21 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.8 -168.85 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 76' ' ' GLU . 6.8 mmtt -63.69 179.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.749 0.309 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.8 m -118.63 107.59 13.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.709 ' CD2' ' CD1' ' A' ' 62' ' ' PHE . 4.9 m-85 -97.16 154.99 17.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.651 ' CD ' ' CH2' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -156.42 137.0 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 35.9 t -80.9 128.05 33.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.4 p -89.91 5.86 44.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.22 -26.0 7.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.9 m -94.64 -175.67 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 mm -119.77 132.2 70.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 48.6 49.07 19.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.462 ' CE2' ' ND1' ' A' ' 67' ' ' HIS . 4.8 t80 -119.53 127.91 53.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -146.33 132.07 18.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 57' ' ' LEU . 18.3 mt -119.41 168.57 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 60' ' ' GLU . 26.8 p -113.38 144.7 42.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' CYS . 22.1 tp60 -33.36 -34.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 6.2 tt0 -65.92 -68.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.6 m -50.64 -28.42 8.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.709 ' CD1' ' CD2' ' A' ' 47' ' ' TYR . 25.3 t80 -62.58 -39.63 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -58.57 -18.42 29.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -65.6 -27.72 68.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.98 ' HA ' HD13 ' A' ' 68' ' ' LEU . 3.3 m-85 58.97 53.93 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.7 t -115.61 -45.23 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 72' ' ' PHE . 1.8 t60 -95.28 -13.64 24.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.98 HD13 ' HA ' ' A' ' 65' ' ' TYR . 6.9 mp -43.28 -29.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -41.58 -46.02 3.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -81.43 168.14 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -79.73 110.59 15.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 49' ' ' CYS . 3.8 m-85 -110.01 164.15 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 84' ' ' SER . 41.1 p -154.03 138.09 16.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 83' ' ' ARG . 42.4 p90 -106.16 160.66 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 82' ' ' TRP . 6.9 mmt180 -107.4 170.06 8.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 80' ' ' GLN . 4.9 mp0 -134.61 167.78 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 12.5 pttp -48.1 163.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' LYS . 2.0 tpp180 -38.07 156.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 64.91 43.06 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 15.5 mm-40 -147.75 176.29 10.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -147.08 148.03 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.651 ' CH2' ' CD ' ' A' ' 48' ' ' LYS . 97.0 m95 -34.38 151.03 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 74' ' ' PHE . 54.2 mtp180 -131.16 132.4 44.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.506 ' HA ' HG22 ' A' ' 73' ' ' THR . 71.6 p -68.76 117.48 10.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 47' ' ' TYR . 9.1 mt -73.73 156.94 37.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.0 133.46 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 88' ' ' ARG . 19.7 tttp -78.66 153.29 31.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' N ' ' HG2' ' A' ' 87' ' ' LYS . 24.6 ttm180 -33.45 134.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.93 49.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -122.34 131.36 53.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -125.3 110.49 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 92' ' ' VAL . 33.4 m -136.79 118.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t -108.25 41.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.99 123.83 2.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.435 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.25 32.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m 56.77 41.14 28.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.7 t -109.66 151.37 26.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.523 -179.964 . . . . . . . . 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 -0.305 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -156.93 162.74 39.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -149.58 173.41 13.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.74 -170.19 12.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -168.14 161.75 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -93.54 171.23 9.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.25 -62.54 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.5 pt? -45.73 130.54 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -163.57 172.78 13.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 11' ' ' PHE . 9.8 pt-20 -116.44 152.25 34.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 10' ' ' GLU . 11.8 p90 -36.64 150.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.35 142.51 18.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -94.23 176.65 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.3 p -151.07 176.95 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -58.37 173.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -129.82 173.35 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.54 154.12 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -143.02 162.36 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 164.26 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.5 158.56 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.28 164.8 22.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -112.31 164.37 13.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -116.11 135.56 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ARG . 19.9 mm-40 -151.49 165.1 35.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' GLU . 19.5 ttp180 -35.22 142.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mp -117.55 -39.03 3.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -121.94 177.24 5.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' LEU . 2.3 mmpt? -75.72 -42.9 49.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -61.26 80.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLY . 9.8 mt -93.46 -41.86 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' LEU . . . 34.31 -113.29 0.1 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.699 ' O ' HD12 ' A' ' 42' ' ' ILE . 25.4 mt -141.79 139.52 18.53 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 32' ' ' ILE . 53.3 Cg_endo -69.82 164.45 34.57 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 0.0 112.331 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 57' ' ' LEU . 14.3 t -75.16 148.2 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -94.35 -10.79 31.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.664 ' HB2' HD21 ' A' ' 57' ' ' LEU . 1.1 t30 -100.65 -72.81 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 17.9 p -77.12 -24.86 51.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 42.3 mmtt 69.17 42.95 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 10.0 tt0 -83.92 121.48 27.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 1.1 t80 -146.67 127.45 7.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 53.6 Cg_endo -69.77 166.41 74.14 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.379 -0.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 32' ' ' ILE . 12.2 mt -91.72 105.86 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.81 -57.22 10.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.78 179.39 4.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -52.76 179.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 m -119.94 112.98 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 74' ' ' PHE . 53.9 m-85 -115.33 148.14 39.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HD3' ' CH2' ' A' ' 82' ' ' TRP . 21.6 pttt -146.21 141.62 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 72' ' ' PHE . 37.8 t -78.8 126.8 31.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.9 p -87.96 5.56 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -115.61 -26.58 7.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.0 m -94.7 -173.77 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' GLU . 48.0 mm -115.13 138.42 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ILE . 17.3 pt-20 37.03 39.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.491 ' CE1' ' ND1' ' A' ' 67' ' ' HIS . 5.0 t80 -104.97 119.64 39.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 48' ' ' LYS . 7.0 m80 -140.71 131.4 25.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.664 HD21 ' HB2' ' A' ' 36' ' ' ASN . 25.5 mt -112.58 -178.52 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' GLN . 29.1 p -123.64 145.28 49.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.7 tp60 -33.85 -41.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.29 -61.88 2.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.4 m -57.37 -39.46 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -55.98 -37.49 69.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.95 -37.6 66.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -65.13 -11.1 36.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.682 ' CG ' HD13 ' A' ' 68' ' ' LEU . 4.4 m-85 52.41 34.11 14.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 86.5 m -74.01 -75.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' ND1' ' CE1' ' A' ' 55' ' ' TYR . 2.1 t60 -75.22 -12.87 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 65' ' ' TYR . 3.1 tt -42.44 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' HIS . 66.5 m -45.51 -44.68 12.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -82.73 162.33 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -69.02 108.53 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.597 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -106.53 157.64 17.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -134.64 128.96 34.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CZ ' ' HD3' ' A' ' 83' ' ' ARG . 1.4 p90 -106.36 140.06 39.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.554 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 0.0 OUTLIER -103.72 176.38 5.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -110.69 169.42 8.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 2.7 ptpp? -46.09 164.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' ASN . 13.1 tpt180 -36.99 156.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.1 t-20 59.84 45.47 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 77' ' ' LYS . 27.2 mm100 -148.72 -175.78 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 2.8 mmmp? -127.71 -178.41 4.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.584 ' CH2' ' HD3' ' A' ' 48' ' ' LYS . 93.3 m95 -75.97 170.9 15.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.467 ' HD3' ' CZ ' ' A' ' 74' ' ' PHE . 24.2 mtp85 -144.54 129.36 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.0 p -73.15 117.96 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 72' ' ' PHE . 11.7 mt -75.33 165.38 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -88.07 157.11 18.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -82.54 93.16 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -106.43 120.21 41.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.53 132.44 53.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -65.23 175.8 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -150.11 108.52 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t -137.17 148.38 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 t -107.37 99.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.63 152.3 3.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.21 22.27 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.7 m -111.07 -50.1 2.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.6 t -41.69 138.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.496 -179.965 . . . . . . . . 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 -0.312 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -140.66 150.04 43.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 110.84 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -70.75 150.78 45.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.04 160.06 36.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -87.72 136.24 33.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -126.15 174.53 8.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.86 113.11 0.69 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -166.84 123.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -148.01 141.37 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -164.73 117.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -50.13 131.9 23.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -102.27 175.2 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -76.03 171.32 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -56.25 149.9 15.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 91.6 p -77.36 123.52 26.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -56.85 158.43 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.716 ' H ' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -86.52 82.05 8.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.2 p -36.38 151.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.77 94.79 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.32 127.8 43.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.24 173.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.55 45.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.23 -54.53 7.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.24 155.54 28.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.92 160.45 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 27' ' ' ASP . 5.4 mp -116.27 42.24 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 26' ' ' LEU . 14.2 t0 34.04 54.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' HIS . 13.1 tttp -128.19 101.89 6.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 28' ' ' LYS . 24.7 p-80 35.11 50.13 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.703 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -59.92 -42.04 93.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' C ' HG13 ' A' ' 32' ' ' ILE . . . 39.26 -101.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.726 HG23 ' HD2' ' A' ' 33' ' ' PRO . 19.8 mt -143.44 139.68 16.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.586 0.708 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 32' ' ' ILE . 54.0 Cg_endo -69.68 159.19 54.39 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.373 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.536 ' N ' HD11 ' A' ' 42' ' ' ILE . 11.6 t -67.55 152.42 45.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -95.99 -23.51 16.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -88.21 -74.45 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 15.7 p -74.01 -27.32 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 20.7 mmmt 68.89 43.19 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 9.0 tt0 -83.53 123.0 29.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 33' ' ' PRO . 2.0 t80 -146.95 125.5 6.22 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 40' ' ' PHE . 54.2 Cg_endo -69.71 167.89 69.25 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 -1.777 . . . . 0.0 112.371 -0.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 42' ' ' ILE . 28.1 mt -93.43 84.13 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -39.77 -57.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.468 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -67.68 -174.04 7.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -58.2 168.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.8 p -118.13 106.79 13.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.42 153.07 18.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -144.64 122.74 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 72' ' ' PHE . 48.8 t -66.56 126.24 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.1 p -90.57 4.11 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -111.26 -24.83 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.6 m -101.33 -174.74 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.64 137.4 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 48.09 42.95 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -121.68 127.99 51.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.495 ' CE1' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -145.13 133.55 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD12 ' CE2' ' A' ' 72' ' ' PHE . 27.1 mt -114.83 165.88 12.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' GLN . 26.8 p -112.31 149.03 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' CYS . 11.7 tp60 -33.79 -44.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.17 -67.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -50.35 -38.95 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -54.57 -36.97 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -61.31 -21.46 63.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 t -64.7 -28.22 69.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CG ' HD22 ' A' ' 68' ' ' LEU . 5.5 m-85 57.95 50.7 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.13 -50.27 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -89.89 -12.37 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.681 HD22 ' CG ' ' A' ' 65' ' ' TYR . 9.4 mp -42.59 -25.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.51 -36.65 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -92.18 158.42 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 m -74.8 107.63 7.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -98.55 176.29 5.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.6 p -151.54 134.68 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 83' ' ' ARG . 14.2 p90 -111.26 148.52 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.55 ' HG3' ' CD2' ' A' ' 82' ' ' TRP . 13.0 mtt180 -101.84 172.6 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -122.16 168.31 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ARG . 24.6 pttt -47.97 163.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' LYS . 12.7 tpp180 -36.54 155.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.8 m-80 63.91 42.55 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -149.91 -175.07 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 159.51 44.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.55 ' CD2' ' HG3' ' A' ' 75' ' ' ARG . 82.8 m95 -39.37 155.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 74' ' ' PHE . 16.7 mtm180 -142.13 128.0 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -54.46 156.42 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -107.27 168.07 9.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -105.43 134.42 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -55.38 142.65 31.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -145.55 168.58 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.59 122.84 15.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -116.86 163.07 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -81.85 92.17 6.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.25 117.93 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.9 m -113.69 177.35 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -88.37 -88.5 1.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 116.32 4.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.1 t -82.7 123.25 29.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 t -116.95 103.47 10.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.518 -179.992 . . . . . . . . 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_